Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680605 | 0.90 | TSHR (0.32) | TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL4881159 | 0.87 | TSHR (0.33) | TSHRTHRB | |
| SCHEMBL21491326 | 0.87 | CYP3A4 (0.43) | TSHRCYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL6697084 | 0.86 | ALDH1A1 (0.33) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL31515197 | 0.84 | TSHR (0.54) | TSHRCYP3A4SMN1; SMN2MEN1THRB | |
| SCHEMBL3151320 | 0.84 | CYP3A4 (0.33) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL20165967 | 0.84 | DNM1 (0.33) | TSHRCYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL509694 | 0.82 | LMNA (0.30) | TSHR | |
| SCHEMBL3143857 | 0.82 | DNM1 (0.45) | TSHRSMN1; SMN2MEN1THRBHTT | |
| SCHEMBL3147839 | 0.81 | DNM1 (0.38) | CA1CA2 |
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 9 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-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | 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-4822804-A | 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1989-04-18 | — | — | US | disclosed |
| US-4564620-A | 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1986-01-14 | — | — | US | disclosed |
| EP-0060640-A1 | 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1982-09-22 | — | — | 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 (3 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 | TSHR 3875/4885CYP3A4 61/4885ADRB2 3842/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | TSHR 3836/4885CYP3A4 1535/4885ADRB2 4145/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | TSHR 3952/4885CYP3A4 104/4885ADRB2 3998/4885 |
“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.