Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 2/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.33 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27905752 | 0.89 | CYP3A4 (0.39) | CYP3A4CAMKK2SCDSCD5GRM1 | |
| SCHEMBL12571315 | 0.79 | KDM4E (0.57) | CYP3A4KDM4ENAPRT | |
| SCHEMBL31561147 | 0.79 | KDM4E (0.57) | CYP3A4KDM4ENAPRT | |
| SCHEMBL15083062 | 0.78 | MAPK14 (0.43) | GRM1KDM4ECDC7NAPRT | |
| SCHEMBL12571319 | 0.75 | KDM4E (0.43) | CYP3A4SCD5KDM4ECDC7NAPRT | |
| SCHEMBL11889639 | 0.73 | KDM4E (0.63) | KDM4E | |
| SCHEMBL12571320 | 0.73 | KDM4E (0.41) | CYP3A4KDM4ENAPRT | |
| SCHEMBL27905755 | 0.72 | GSK3B (0.41) | CYP3A4CDC7GSK3BLATS1LATS2 | |
| SCHEMBL12571404 | 0.71 | ALDH1A1 (0.48) | CAMKK2SCDSCD5KMOKDM4E | |
| SCHEMBL12571313 | 0.71 | DHODH (0.45) | KDM4EP2RX7NAPRT |
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 |