Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004345 | 0.94 | SMPD1 (0.41) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2003986 | 0.90 | TP53 (0.47) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2000325 | 0.90 | RAB9A (0.41) | LMNARAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL2008785 | 0.90 | GAA (0.46) | SMPD1LMNAMAPTPKMGAA | |
| SCHEMBL2002246 | 0.89 | SMN1; SMN2 (0.39) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2005129 | 0.89 | TSHR (0.46) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2003702 | 0.88 | POLB (0.40) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2003479 | 0.88 | MAPT (0.36) | SMPD1LMNAMAPTPKMGAA | |
| SCHEMBL2005817 | 0.86 | SMPD1 (0.44) | SMPD1LMNARAB9ANPC1MAPT | |
| SCHEMBL2003750 | 0.85 | FAAH (0.40) | SMPD1LMNARAB9ANPC1MAPT |
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 |