Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 3/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4089939 | 0.97 | MEN1 (0.45) | KMT2AMEN1NPC1RAB9APOLB | |
| SCHEMBL4088405 | 0.97 | MEN1 (0.47) | KMT2AMEN1NPC1RAB9APOLB | |
| SCHEMBL4098796 | 0.95 | KMT2A (0.46) | KMT2AMEN1NPC1RAB9AFAAH | |
| SCHEMBL4089993 | 0.93 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9AFAAH | |
| SCHEMBL3006768 | 0.93 | PTGS2 (0.49) | FAAHPLA2G2APTGS2EDNRBMAPT | |
| SCHEMBL3010596 | 0.91 | MEN1 (0.43) | KMT2AMEN1POLBFAAHEDNRB | |
| SCHEMBL4088721 | 0.90 | KCNH2 (0.48) | KMT2AMEN1NPC1RAB9AFAAH | |
| SCHEMBL2999278 | 0.90 | FAAH (0.44) | KMT2AMEN1POLBFAAHTAS1R3 | |
| SCHEMBL3001524 | 0.90 | PLA2G2A (0.46) | KMT2AMEN1NPC1RAB9AFAAH | |
| SCHEMBL4378535 | 0.90 | FAAH (0.52) | KMT2AMEN1NPC1RAB9AFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |