Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.50 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7351280 | 0.85 | AVPR2 (0.50) | ALDH1A1NPSR1AVPR2AVPR1AKMT2A | |
| SCHEMBL7349936 | 0.85 | HDAC1 (0.54) | ALDH1A1AVPR2AVPR1ACA1CA2 | |
| SCHEMBL7353756 | 0.85 | ALDH1A1 (0.73) | ALDH1A1NPSR1AVPR2AVPR1ATSHR | |
| SCHEMBL7349853 | 0.84 | AVPR2 (0.50) | ALDH1A1NPSR1AVPR2AVPR1ATSHR | |
| SCHEMBL7352085 | 0.84 | CA1 (0.58) | ALDH1A1AVPR2AVPR1ATSHRKMT2A | |
| SCHEMBL7346895 | 0.83 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKMT2ARAB9A | |
| SCHEMBL7349343 | 0.83 | PDE4A (0.50) | ALDH1A1NPSR1TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL7351669 | 0.82 | AVPR2 (0.51) | ALDH1A1NPSR1AVPR2TSHRSMN1; SMN2 | |
| SCHEMBL6991836 | 0.82 | AVPR2 (0.65) | ALDH1A1AVPR2AVPR1ATSHRKCNN4 | |
| SCHEMBL7345214 | 0.81 | AVPR2 (0.56) | ALDH1A1AVPR2AVPR1ASMN1; SMN2CA1 |
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 5 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 |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |