Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.39 |
| ▸ | PTGIR | P43119 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2005335 | 0.99 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2009837 | 0.98 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2004422 | 0.92 | PTGIR (0.38) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2002989 | 0.91 | PTGDR2 (0.39) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2002715 | 0.91 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2004542 | 0.91 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGIRLMNACYP1A2 | |
| SCHEMBL2008871 | 0.88 | PTGS2 (0.41) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2003501 | 0.87 | PTGS2 (0.41) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2001827 | 0.86 | PTGS1 (0.41) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2005629 | 0.86 | AKR1C3 (0.36) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 |
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 |