Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1169925 | 0.98 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20163176 | 0.89 | CALM1 (0.58) | CALM1CTSLSMN1; SMN2CTRCLTA4H | |
| SCHEMBL10990263 | 0.81 | CYP2C19 (0.48) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23121546 | 0.81 | CYP2D6 (0.52) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1680672 | 0.79 | PNMT (0.60) | CYP3A4TAAR1NOTUM | |
| SCHEMBL4155853 | 0.78 | CTSL (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19LOXL2 | |
| SCHEMBL9338807 | 0.78 | TDP1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19CALM1 | |
| SCHEMBL27968343 | 0.78 | TP53 (0.48) | CYP3A4CALM1CTSLSMN1; SMN2CTRC | |
| SCHEMBL30704427 | 0.78 | — | — | |
| SCHEMBL183214 | 0.78 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-7893055-B2 | pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-22 | — | — | US | disclosed |
| US-7893055-B2 | pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-22 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20080004265-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| US-20080004265-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| WO-2008002959-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-03 | — | — | WO | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | CYP2A6 1051/4885CYP2E1 280/4885CYP3A4 61/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP2A6 2188/4885CYP2E1 1875/4885CYP3A4 1535/4885 |
| US-20080004265-A1 | HIV Integrase Inhibitors | TYMP, POLN, IMPDH1 | CYP2A6 1444/4885CYP2E1 859/4885CYP3A4 506/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP2A6 1103/4885CYP2E1 285/4885CYP3A4 104/4885 |
“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.