Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 1/20 | 0.32 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7349186 | 0.75 | KDM4E (0.30) | TDP1KDM4EMEN1KMT2A | |
| SCHEMBL3815896 | 0.73 | ALDH1A1 (0.50) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL957878 | 0.73 | ALDH1A1 (0.42) | CYP3A4ALDH1A1TSHRTDP1HPGD | |
| SCHEMBL11303942 | 0.70 | KMT2A (0.42) | SMN1; SMN2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL9676608 | 0.70 | CES2 (0.42) | TDP1MEN1LMNAKMT2A | |
| SCHEMBL2095272 | 0.70 | ALDH1A1 (0.42) | CYP3A4SMN1; SMN2ALDH1A1TSHRTDP1 | |
| SCHEMBL2809588 | 0.70 | IDO1 (0.33) | — | |
| SCHEMBL5368376 | 0.67 | CYP3A4 (0.62) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL7295640 | 0.67 | NR4A1 (0.56) | CYP3A4ALOX15SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL2094349 | 0.67 | SMN1; SMN2 (0.48) | CYP3A4ALOX15SMN1; SMN2ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |