Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2000164 | 0.92 | AHR (0.50) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL1998396 | 0.87 | AHR (0.55) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2003635 | 0.86 | LMNA (0.48) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2004829 | 0.86 | AHR (0.50) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2001659 | 0.84 | LMNA (0.47) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2006991 | 0.84 | LMNA (0.47) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2006480 | 0.83 | LMNA (0.48) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2004319 | 0.83 | ALDH1A1 (0.52) | LMNAALDH1A1PTGS2MAPTMAPK1 | |
| SCHEMBL2005143 | 0.82 | AHR (0.74) | AHRLMNAHDAC1HDAC2HDAC6 | |
| SCHEMBL2005436 | 0.82 | LMNA (0.48) | AHRLMNAHDAC1HDAC2HDAC6 |
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 |