Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 12/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4537136 | 0.89 | MEN1 (0.56) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL2854988 | 0.80 | RAB9A (0.59) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL12571294 | 0.80 | RAB9A (0.53) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL5012718 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL9342867 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL4882549 | 0.76 | RAB9A (0.87) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL13848617 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL14650182 | 0.74 | MAP4K4 (0.54) | ALDH1A1KDM4ENPC1RAB9AMEN1 | |
| SCHEMBL14395287 | 0.74 | CYP3A4 (0.59) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL12920039 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDNPC1RAB9A |
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-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |