Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156441 | 0.82 | TP53 (0.54) | TACR1SLC18A3GBA1SLC6A3SLC6A4 | |
| SCHEMBL7919080 | 0.79 | GBA1 (0.52) | TACR1SLC18A3GBA1MEN1KMT2A | |
| SCHEMBL8108717 | 0.79 | GBA1 (0.52) | TACR1SLC18A3GBA1MEN1KMT2A | |
| SCHEMBL9205719 | 0.79 | GBA1 (0.52) | TACR1SLC18A3GBA1MEN1KMT2A | |
| SCHEMBL6248843 | 0.79 | GBA1 (0.52) | TACR1SLC18A3GBA1MEN1KMT2A | |
| SCHEMBL8156443 | 0.76 | TACR1 (0.36) | TACR1SLC18A3SLC6A2MEN1KMT2A | |
| SCHEMBL27493818 | 0.76 | TACR1 (0.36) | TACR1SLC18A3SLC6A2MEN1KMT2A | |
| SCHEMBL8156437 | 0.75 | CYP1A2 (0.40) | TACR1GBA1MEN1KMT2ATSHR | |
| SCHEMBL670258 | 0.74 | ALDH1A1 (0.57) | ALDH1A1SLC6A3SLC6A2KMT2ATSHR | |
| SCHEMBL582331 | 0.74 | ALDH1A1 (0.57) | ALDH1A1SLC6A3SLC6A2KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633266-A | Azacyclic compounds compositions containing them and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1997-05-27 | — | — | US | disclosed |