Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 SCHEMBL5202243 | 0.93 | EPHX2 (0.36) | TSPOALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL5208477 | 0.92 | ALDH1A1 (0.37) | TSPOKMT2AMEN1ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL5206005 | 0.92 | TSPO (0.47) | TSPOHPGDKMT2AMEN1NPC1 | |
| Trifluoroacetic Acid SCHEMBL5208348 | 0.91 | RAB9A (0.37) | KMT2AMEN1RAB9ASCN9A | |
| Trifluoroacetic Acid SCHEMBL5201746 | 0.90 | CACNA1B (0.36) | KMT2AMEN1ALDH1A1KDM4EPOLB | |
| Trifluoroacetic Acid SCHEMBL5205398 | 0.89 | TSPO (0.44) | TSPOHPGDKMT2AMEN1NPC1 | |
| Trifluoroacetic Acid SCHEMBL5204751 | 0.89 | TPSAB1 (0.35) | KMT2AMEN1ALDH1A1KDM4EPOLB | |
| Trifluoroacetic Acid SCHEMBL5205467 | 0.88 | SCN9A (0.39) | HPGDKMT2AMEN1SCN9AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5205999 | 0.87 | ALDH1A1 (0.46) | TSPOKMT2AMEN1NPC1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5202498 | 0.86 | EPHX2 (0.38) | TSPOSCN9AALDH1A1KDM4E |
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-7160887-B1 | Aromatic amine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1123918-A1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |