Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310919 | 0.76 | TSHR (0.52) | ALDH1A1GPR35TDP1MAPK1KMT2A | |
| SCHEMBL2822069 | 0.75 | ALDH1A1 (0.58) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL5780887 | 0.74 | TDP1 (0.56) | ALDH1A1GPR35TDP1HPGDKMT2A | |
| SCHEMBL3307495 | 0.74 | TXNRD1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL96702 | 0.74 | GPR35 (0.47) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL27330165 | 0.74 | GPR35 (0.61) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL28846731 | 0.74 | ALDH1A1 (0.49) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL4076110 | 0.73 | ALDH1A1 (0.56) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL8686866 | 0.73 | ALDH1A1 (0.56) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL213849 | 0.71 | ALDH1A1 (0.62) | ALDH1A1GPR35TDP1HPGDMAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3365331-B1 | 5,5'-BIS(2,4,6-TRINITROPHENYL)-2,2'-BI(1,3,4-OXADIAZOLE) AND BIS(2,4,6-TRINITROBENZOYL)OXALOHYDRAZIDE | UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) | 2019-11-20 | — | — | EP | claimed |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |