Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30619319 | 0.92 | TACR1 (0.41) | TACR1SLC6A4F10 | |
| SCHEMBL17645463 | 0.92 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17645361 | 0.89 | TAS1R3 (0.39) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17645367 | 0.85 | FKBP1A (0.39) | NPC1RAB9A | |
| SCHEMBL17658800 | 0.81 | PIP5K1C (0.38) | — | |
| SCHEMBL28400919 | 0.78 | GSK3B (0.38) | NPC1RAB9ACYP2D6 | |
| SCHEMBL13389978 | 0.77 | ALOX15 (0.50) | SLC6A4F10MEN1KMT2A | |
| SCHEMBL28398406 | 0.77 | STS (0.48) | NPC1RAB9A | |
| SCHEMBL14484808 | 0.75 | MCL1 (0.54) | KMT2A | |
| SCHEMBL30187757 | 0.74 | ROCK1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111196804-B | TGF-beta R1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-111196804-A | TGF- β R1 inhibitor and application thereof | 南京圣和药业股份有限公司 | 2020-05-26 | — | — | CN | disclosed |