Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2000292 | 0.94 | SMN1; SMN2 (0.41) | SMN1; SMN2SMPD1CNR2STAT3HDAC1 | |
| SCHEMBL2004417 | 0.91 | TP53 (0.44) | SMN1; SMN2SMPD1CNR2STAT3HDAC1 | |
| SCHEMBL2001247 | 0.90 | GAA (0.42) | SMN1; SMN2SMPD1CNR2HDAC1HDAC6 | |
| SCHEMBL2002547 | 0.90 | RAB9A (0.39) | SMN1; SMN2CNR2LMNANPC1RAB9A | |
| SCHEMBL2005271 | 0.90 | TSHR (0.43) | SMN1; SMN2SMPD1LMNAMAPTPKM | |
| SCHEMBL2002094 | 0.89 | SMN1; SMN2 (0.43) | SMN1; SMN2SMPD1CNR2STAT3HDAC1 | |
| SCHEMBL2003476 | 0.89 | SMPD1 (0.41) | SMN1; SMN2SMPD1LMNANPC1RAB9A | |
| SCHEMBL2002296 | 0.89 | MAPT (0.33) | SMN1; SMN2SMPD1STAT3ESR1LMNA | |
| SCHEMBL2001517 | 0.87 | ALOX5AP (0.42) | SMN1; SMN2SMPD1CNR2STAT3LMNA | |
| SCHEMBL2000262 | 0.86 | MAPK1 (0.48) | SMN1; SMN2SMPD1LMNAMAPTPKM |
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 |