Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620504 | 0.80 | TP53 (0.43) | TP53MAPTNPC1RAB9APTK2B | |
| SCHEMBL29852012 | 0.79 | MAPT (0.43) | TP53MAPTNPC1RAB9APTK2B | |
| SCHEMBL15627554 | 0.79 | MAPT (0.43) | TP53MAPTNPC1RAB9APTK2B | |
| SCHEMBL19620621 | 0.78 | MAPT (0.49) | TP53MAPTRAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL19620692 | 0.78 | DPP4 (0.38) | MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620539 | 0.78 | CYP1A2 (0.33) | MAPTCYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL20367966 | 0.77 | TOP2A (0.35) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL19620671 | 0.77 | MAPT (0.40) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19620531 | 0.76 | MAPT (0.39) | TP53MAPTCYP3A4KDM4EALDH1A1 | |
| SCHEMBL19620732 | 0.76 | MEN1 (0.33) | MAPTKDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |