Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004562 | 0.95 | RET (0.37) | RETRAB9ANPC1LMNAKDM4E | |
| SCHEMBL2005825 | 0.95 | RET (0.38) | RETRAB9ANPC1LMNAKDM4E | |
| SCHEMBL2005834 | 0.94 | LMNA (0.39) | RETRAB9ANPC1LMNAKDM4E | |
| SCHEMBL2004484 | 0.93 | KDM4E (0.38) | RETRAB9ANPC1LMNAKDM4E | |
| SCHEMBL2005171 | 0.91 | LMNA (0.38) | RETLMNAKDM4EPOLBL3MBTL1 | |
| SCHEMBL2004532 | 0.91 | PTGES2 (0.42) | RETRAB9ANPC1LMNAKDM4E | |
| SCHEMBL2004704 | 0.91 | LMNA (0.38) | RAB9ANPC1LMNAKDM4EALDH1A1 | |
| SCHEMBL2002838 | 0.90 | LMNA (0.45) | LMNAL3MBTL1ALDH1A1MAPTALOX12 | |
| SCHEMBL2003660 | 0.89 | RAB9A (0.40) | RAB9ANPC1LMNAKDM4EPOLB | |
| SCHEMBL2000666 | 0.87 | PTGES2 (0.35) | RETRAB9ANPC1LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |