Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003476 | 0.94 | SMPD1 (0.41) | SMPD1TSHRGSK3BRAB9ADUSP3 | |
| SCHEMBL2003986 | 0.93 | TP53 (0.47) | SMPD1TSHRGSK3BRAB9ATP53 | |
| SCHEMBL2005129 | 0.91 | TSHR (0.46) | SMPD1TSHRRAB9ATP53LMNA | |
| SCHEMBL2003702 | 0.90 | POLB (0.40) | SMPD1TSHRGSK3BRAB9ATP53 | |
| SCHEMBL2008469 | 0.90 | RAB9A (0.42) | TSHRGSK3BRAB9ADUSP3PTPN11 | |
| SCHEMBL2006062 | 0.89 | CYP1A2 (0.48) | SMPD1TSHRGSK3BLMNAMAPT | |
| SCHEMBL2005817 | 0.89 | SMPD1 (0.44) | SMPD1TSHRRAB9ATP53LMNA | |
| SCHEMBL2000292 | 0.88 | SMN1; SMN2 (0.41) | SMPD1TSHRGSK3BRAB9ADUSP3 | |
| SCHEMBL2005916 | 0.87 | SMPD1 (0.35) | SMPD1TSHRTP53LMNAMAPT | |
| SCHEMBL2000325 | 0.85 | RAB9A (0.41) | TSHRGSK3BRAB9ADUSP3PTPN11 |
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 |