Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.55 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7346895 | 0.86 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKDM4EMEN1 | |
| SCHEMBL7343874 | 0.86 | HDAC1 (0.67) | ALDH1A1NPSR1HTTPDK1PDK2 | |
| SCHEMBL7344362 | 0.85 | CA1 (0.71) | ALDH1A1TSHRKDM4EPDK1PDK2 | |
| SCHEMBL7353756 | 0.83 | ALDH1A1 (0.73) | ALDH1A1NPSR1TSHRKDM4EHTT | |
| SCHEMBL7352388 | 0.83 | ALDH1A1 (0.69) | ALDH1A1TSHRHTTGAAMEN1 | |
| SCHEMBL4864913 | 0.80 | MEN1 (0.59) | ALDH1A1NPSR1KDM4EGAAMEN1 | |
| SCHEMBL6959618 | 0.79 | AVPR2 (0.68) | ALDH1A1HTTGAAMEN1KMT2A | |
| SCHEMBL18773823 | 0.79 | ALDH1A1 (0.70) | ALDH1A1NPSR1TSHRKDM4EHTT | |
| SCHEMBL7353072 | 0.78 | TSHR (0.61) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| SCHEMBL7351070 | 0.78 | AVPR2 (0.67) | ALDH1A1HTTGAAMEN1KMT2A |
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 6 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 |
| 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 |