Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620552 | 0.82 | GSK3B (0.39) | MAPTMAOBALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29852012 | 0.80 | MAPT (0.43) | TP53MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19620635 | 0.80 | TP53 (0.43) | TP53MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL15627554 | 0.80 | MAPT (0.43) | TP53MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19620550 | 0.79 | KMT2A (0.39) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL19620603 | 0.78 | POLB (0.50) | TP53MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19620533 | 0.78 | MAPT (0.42) | TP53MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19620625 | 0.78 | CYP1A2 (0.34) | MAPTMAOBALDH1A1KDM4ECYP1A2 | |
| SCHEMBL19620528 | 0.78 | DPP4 (0.36) | MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL19620456 | 0.77 | TOP2A (0.36) | MAPTRAB9AMAOBKDM4EELANE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3345596-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2021-01-20 | — | — | EP | disclosed |
| EP-3345596-A2 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2018-07-11 | — | — | EP | disclosed |
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |