Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9178243 | 0.84 | KDM4E (0.50) | TACR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8936601 | 0.81 | TACR1 (0.70) | TACR1KDM4EALDH1A1ADORA3HPGD | |
| SCHEMBL9179860 | 0.78 | RAB9A (0.50) | KDM4EALDH1A1BRD4HPGDNPSR1 | |
| SCHEMBL9177055 | 0.74 | TACR1 (0.56) | TACR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8936576 | 0.74 | TACR1 (1.00) | TACR1KDM4EALDH1A1ADORA3HPGD | |
| SCHEMBL8936446 | 0.74 | TACR1 (0.49) | TACR1KDM4EALDH1A1TP53 | |
| SCHEMBL8936577 | 0.74 | TACR1 (0.76) | TACR1ALDH1A1TP53 | |
| SCHEMBL8784961 | 0.73 | TACR1 (0.86) | TACR1ALDH1A1HPGDTP53GAA | |
| SCHEMBL8936431 | 0.73 | TACR1 (0.56) | TACR1KDM4EALDH1A1TP53 | |
| SCHEMBL8936535 | 0.73 | TACR1 (0.73) | TACR1ALDH1A1ADORA3HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523305-A | ANALGESICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0566069-A1 | Tachykinin receptor antagonists, isoquinolones and their production | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | disclosed |