Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 3/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2007600 | 0.93 | S1PR1 (0.40) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2004314 | 0.93 | RET (0.39) | MAPTNPC1RAB9ARETPKM | |
| SCHEMBL2002012 | 0.92 | PTGES2 (0.40) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2001214 | 0.91 | PLA2G2A (0.38) | MAPTTP53NPC1RAB9ACYP3A4 | |
| SCHEMBL2002558 | 0.91 | RET (0.39) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2002749 | 0.91 | NPC1 (0.41) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2004561 | 0.90 | RET (0.38) | MAPTNPC1RAB9ACYP3A4RET | |
| SCHEMBL2000706 | 0.89 | RET (0.39) | MAPTTP53SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL2002120 | 0.89 | ABCB1 (0.41) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2004484 | 0.88 | KDM4E (0.38) | MAPTTP53NPC1RAB9ASMN1; SMN2 |
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 |