Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2008365 | 0.92 | AHR (0.51) | AHRLMNAMAPTALDH1A1HDAC1 | |
| SCHEMBL1999240 | 0.87 | IRAK4 (0.51) | AHRLMNAMAPTALDH1A1CYP19A1 | |
| SCHEMBL2002890 | 0.86 | AHR (0.49) | AHRLMNAMAPTALDH1A1HDAC1 | |
| SCHEMBL1998396 | 0.86 | AHR (0.55) | AHRLMNAMAPTALDH1A1HDAC1 | |
| SCHEMBL2003729 | 0.84 | LMNA (0.47) | AHRLMNAMAPTALDH1A1HTT | |
| SCHEMBL2006599 | 0.84 | PLA2G2A (0.49) | LMNAMAPTALDH1A1CYP19A1HTT | |
| SCHEMBL2007371 | 0.84 | LMNA (0.48) | AHRLMNAMAPTALDH1A1HTT | |
| SCHEMBL2002672 | 0.84 | LMNA (0.48) | AHRLMNAMAPTALDH1A1HTT | |
| SCHEMBL2008723 | 0.82 | LMNA (0.49) | AHRLMNAMAPTALDH1A1HDAC1 | |
| SCHEMBL2002885 | 0.82 | LMNA (0.47) | AHRLMNAMAPTALDH1A1HTT |
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 |