Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | FAAH | O00519 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.50 |
| ▸ | ADH1C | P00326 | 2/20 | 0.46 |
| ▸ | ADH1A | P07327 | 2/20 | 0.46 |
| ▸ | ADH4 | P08319 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.46 |
| ▸ | GGPS1 | O95749 | 4/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL29952769 | 0.98 | TSHR (0.52) | TSHRFAAHTRPV1S1PR2S1PR1 | |
| SCHEMBL15865588 | 0.91 | TSHR (0.70) | TSHRFAAHTRPV1S1PR2S1PR1 | |
| SCHEMBL29956245 | 0.91 | TSHR (0.52) | TSHRFAAHTRPV1S1PR2S1PR1 | |
| SCHEMBL12429496 | 0.83 | TSHR (0.56) | TSHRFAAHTRPV1S1PR2S1PR1 | |
| Formic Acid SCHEMBL28426676 | 0.82 | S1PR2 (0.59) | S1PR2S1PR1S1PR3S1PR5ADH1C | |
| SCHEMBL4906959 | 0.81 | — | — | |
| SCHEMBL24103978 | 0.81 | DNM1 (0.67) | TSHRS1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL10410678 | 0.81 | DNM1 (0.67) | TSHRS1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL6444090 | 0.81 | DNM1 (0.67) | TSHRS1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL25463105 | 0.81 | DNM1 (0.67) | TSHRS1PR2S1PR1S1PR3S1PR5 |
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-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| CN-1107146-A | A process for preparing a composition containing benzoheterocycles | OTSUKA PHARMA CO LTD (JP) | 1995-08-23 | — | — | CN | disclosed |
| CN-1027505-C | Process for preparing benzoheterocyclic compounds | OTSUKA PHARMA CO LTD (JP) | 1995-01-25 | — | — | CN | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |
| CN-1051038-A | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1991-05-01 | — | — | CN | disclosed |