Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936580 | 0.91 | TACR1 (0.80) | TACR1ALDH1A1NPC1RAB9A | |
| SCHEMBL8936460 | 0.88 | TACR1 (0.76) | TACR1KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL8936463 | 0.88 | TACR1 (0.76) | TACR1ALDH1A1 | |
| SCHEMBL8936576 | 0.86 | TACR1 (1.00) | TACR1KDM4EALDH1A1HPGD | |
| SCHEMBL8936535 | 0.86 | TACR1 (0.73) | TACR1ALDH1A1HPGD | |
| SCHEMBL8936596 | 0.85 | TACR1 (0.71) | TACR1ALDH1A1NPC1RAB9A | |
| SCHEMBL8936527 | 0.84 | TACR1 (0.90) | TACR1KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL8936481 | 0.84 | TACR1 (0.86) | TACR1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8936410 | 0.83 | TACR1 (0.72) | TACR1ALDH1A1NPC1RAB9A | |
| SCHEMBL8936536 | 0.83 | TACR1 (0.77) | TACR1NPC1RAB9A |
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 |