Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | EED | O75530 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8992916 | 0.88 | DHFR (0.46) | ALDH1A1NPC1RAB9ATACR1IDO1 | |
| SCHEMBL8993128 | 0.88 | DHFR (0.46) | ALDH1A1NPC1RAB9ATACR1IDO1 | |
| SCHEMBL5423197 | 0.85 | NPC1 (0.52) | ALDH1A1NPC1RAB9ATACR1IDO1 | |
| SCHEMBL92943 | 0.83 | KDM4C (0.41) | NPC1RAB9ATACR1DHFRKDM4C | |
| SCHEMBL8321396 | 0.83 | NPC1 (0.50) | NPC1RAB9ATACR1IDO1AGXT | |
| SCHEMBL5859968 | 0.82 | CACNA1B (0.42) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL8711253 | 0.82 | ALDH1A1 (0.62) | ALDH1A1NPC1LMNAPOLBGAA | |
| SCHEMBL5859287 | 0.81 | TDP1 (0.48) | ALDH1A1NPC1RAB9ATACR1IDO1 | |
| SCHEMBL6624255 | 0.81 | DHFR (0.55) | ALDH1A1NPC1RAB9ATACR1IDO1 | |
| SCHEMBL23662562 | 0.81 | DHFR (0.43) | ALDH1A1NPC1RAB9ATACR1AGXT |
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-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0792880-A1 | OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND | Japan Tobacco Inc. (JP) | 1997-09-03 | — | — | EP | disclosed |