Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | RGS12 | O14924 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005129 | 0.92 | TSHR (0.46) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL1998107 | 0.92 | PLA2G2A (0.57) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2001905 | 0.91 | ALDH1A1 (0.49) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2008959 | 0.90 | PLA2G2A (0.49) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2005858 | 0.90 | PLA2G2A (0.44) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2003055 | 0.89 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2005271 | 0.89 | TSHR (0.43) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2007631 | 0.89 | ALDH1A1 (0.49) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2010602 | 0.87 | ALDH1A1 (0.49) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL2002872 | 0.86 | PLA2G2A (0.49) | ALDH1A1TSHRLMNACYP1A2CYP3A4 |
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 |