Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 3/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768523 | 0.87 | CASP1 (0.38) | MAPK14DHODHALDH1A1GAACDC7 | |
| SCHEMBL6843818 | 0.85 | TP53 (0.44) | DHODHALDH1A1GAAMAPTKDM4E | |
| SCHEMBL15083064 | 0.83 | HCAR2 (0.43) | MAPK14HDAC4MKNK1MKNK2 | |
| SCHEMBL2722584 | 0.81 | MKNK1 (0.58) | DHODHALDH1A1GAAHDAC3HDAC4 | |
| SCHEMBL28093059 | 0.81 | CA12 (0.49) | MAPK14DHODHALDH1A1MAPTKDM4E | |
| SCHEMBL6740513 | 0.81 | ALAD (0.51) | ALDH1A1CASP1MAPTKDM4EKMT2A | |
| SCHEMBL6668534 | 0.81 | ALAD (0.51) | — | |
| SCHEMBL4553247 | 0.80 | PPARD (0.44) | CASP1MAPT | |
| SCHEMBL15083063 | 0.78 | CYP3A4 (0.41) | NAPRTCDC7GRM1KDM4E | |
| SCHEMBL11000258 | 0.77 | ALPL (0.52) | ALDH1A1MAPTKDM4E |
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 |