Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6008057 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL1680270 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL7792968 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL16623289 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL16217107 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL18381479 | 0.78 | CYP2C19 (0.52) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL8851082 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL6989114 | 0.78 | CYP2D6 (0.48) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL3623945 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL8851492 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090048295-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICE N.V. (BE) | 2009-02-19 | — | — | US | claimed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20090048295-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICE N.V. (BE) | 2009-02-19 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |
| US-20060004230-A1 | Process for the preparation of terbinafine and salts thereof | CHEMAGIS LTD. (IL) | 2006-01-05 | — | — | US | disclosed |
| EP-1069124-B1 | 2-Benzimidazolylamine compounds as ORL1-receptor agonists | PFIZER (US) | 2004-05-12 | — | — | EP | disclosed |
| US-6340681-B1 | USEFUL AS ANALGESICS IN MAMMALS | PFIZER INC | 2002-01-22 | — | — | US | disclosed |
| EP-0808303-B1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ASTRAZENECA AB (SE) | 2001-06-20 | — | — | EP | disclosed |
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090048295-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | C3AR1, C5AR1, C5AR2 | CYP1A2 1229/4885CYP2C19 2814/4885CYP2D6 1102/4885 |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | CYP1A2 147/4885CYP2C19 445/4885CYP2D6 528/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP1A2 1886/4885CYP2C19 2493/4885CYP2D6 1283/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP1A2 187/4885CYP2C19 541/4885CYP2D6 582/4885 |
| US-20060004230-A1 | Process for the preparation of terbinafine and salts thereof | TPMT, HNMT, DHPS | CYP1A2 122/4885CYP2C19 47/4885CYP2D6 5/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.