Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.44 |
| ▸ | NPY2R | P49146 | 1/20 | 0.44 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL400967 | 0.91 | NPC1 (0.46) | ALDH1A1USP2TP53HPGDMAPK1 | |
| SCHEMBL4970783 | 0.88 | KMT2A (0.47) | ALDH1A1USP2TP53HPGDMAPK1 | |
| SCHEMBL4970534 | 0.83 | SMO (0.50) | NPY1RNPY2RTRPV1IKBKB | |
| SCHEMBL4971048 | 0.83 | RAB9A (0.50) | ALDH1A1MAPK1LMNAMAPTEGFR | |
| SCHEMBL403228 | 0.82 | NPC1 (0.58) | ALDH1A1USP2TP53HPGDMAPK1 | |
| SCHEMBL4977786 | 0.81 | NPY1R (0.54) | NPY1RNPY2RMAPTTRPV1 | |
| SCHEMBL401245 | 0.79 | NPC1 (0.46) | ALDH1A1HPGDNPY1RNPY2RMAPT | |
| SCHEMBL1068026 | 0.77 | ALB (0.54) | ALDH1A1USP2TP53HPGDMAPK1 | |
| SCHEMBL4975360 | 0.77 | CYP2C9 (0.56) | — | |
| SCHEMBL4971825 | 0.76 | RAB9A (0.54) | ALDH1A1HPGDMAPK1LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957461-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | Genentech, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007059157-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | GENENTECH, INC. (US) | 2007-05-24 | — | — | WO | disclosed |