Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5205999 | 0.96 | ALDH1A1 (0.46) | ALDH1A1TSPOTPSAB1HDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL5203361 | 0.91 | TPSAB1 (0.38) | ALDH1A1TPSAB1HDAC6KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5204380 | 0.91 | EPHX2 (0.38) | ALDH1A1TSPOTPSAB1HDAC6EPHX2 | |
| Trifluoroacetic Acid SCHEMBL5207332 | 0.90 | TPSAB1 (0.44) | ALDH1A1TSPOTPSAB1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5202242 | 0.90 | TPSAB1 (0.37) | TSPOTPSAB1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5201456 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSPOTPSAB1KMT2AATM | |
| Trifluoroacetic Acid SCHEMBL5203166 | 0.90 | ALDH1A1 (0.39) | ALDH1A1TSPOTPSAB1HDAC6RAB9A | |
| Trifluoroacetic Acid SCHEMBL5202835 | 0.90 | TPSAB1 (0.36) | ALDH1A1TSPOTPSAB1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5201547 | 0.90 | ALDH1A1 (0.40) | ALDH1A1TSPOTPSAB1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5202609 | 0.89 | TSPO (0.44) | ALDH1A1TSPOTPSAB1KMT2AATM |
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 3 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-B1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2005-03-09 | — | — | EP | 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 |