Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5710118 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL29956957 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL30231 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL28751379 | 0.71 | CYP3A4 (0.46) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL17236458 | 0.71 | CYP3A4 (0.48) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL121851 | 0.67 | TSHR (0.46) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8778304 | 0.67 | HTR3E (0.58) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL10269417 | 0.66 | ALDH1A1 (0.63) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL8475 | 0.64 | NPC1 (0.45) | ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL21273121 | 0.64 | ENPP2 (0.37) | CYP3A4ALDH1A1MAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011140164-A1 | AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH | MERCK SHARP & DOHME CORP. (US) | 2011-11-10 | — | — | WO | disclosed |