Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4898248 | 0.85 | RAB9A (0.42) | NPC1RAB9AKMT2AMEN1CASR | |
| SCHEMBL4900916 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL4895030 | 0.83 | NPC1 (0.47) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL4893856 | 0.81 | MTNR1A (0.40) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL4892285 | 0.79 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1CASR | |
| SCHEMBL4896207 | 0.77 | RAB9A (0.55) | NPC1RAB9AKMT2AMEN1CASR | |
| SCHEMBL4901844 | 0.74 | PPIA (0.55) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL4898824 | 0.74 | NPC1 (0.58) | ALDH1A1NPC1RAB9AKMT2AGAA | |
| SCHEMBL4902891 | 0.73 | KMT2A (0.50) | ALDH1A1NPC1RAB9AKMT2ACASR | |
| SCHEMBL4893825 | 0.72 | RAB9A (0.57) | NPC1RAB9AKMT2AMEN1CASR |
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-8557853-B2 | Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents | ALLERGAN, INC. (US) | 2013-10-15 | — | — | US | disclosed |