Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.51 |
| ▸ | FEN1 | P39748 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11221360 | 0.82 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL11221362 | 0.82 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL9048908 | 0.82 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL9048897 | 0.82 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL2966649 | 0.81 | ALDH1A1 (0.64) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL758450 | 0.79 | ALDH1A1 (0.62) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL4765892 | 0.76 | — | — | |
| SCHEMBL9367999 | 0.76 | ALDH1A1 (0.53) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL711360 | 0.76 | RAB9A (0.75) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL2216212 | 0.76 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1MEN1KMT2A |
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-5446060-A | Aminoalkyl thienyl ketone derivatives and their use as peripheral vasodilators | LABORATOIRE L. LAFON (FR) | 1995-08-29 | — | — | US | disclosed |