Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11570831 | 0.94 | CYP19A1 (0.42) | CYP19A1PGRLMNANPC1RAB9A | |
| SCHEMBL11539604 | 0.93 | CYP19A1 (0.53) | CYP19A1PGRLMNANPC1RAB9A | |
| SCHEMBL11534709 | 0.93 | TSHR (0.47) | CYP19A1LMNACES1NPC1RAB9A | |
| SCHEMBL11537539 | 0.92 | TSHR (0.46) | CYP19A1LMNANPC1RAB9ACYP2C9 | |
| SCHEMBL11536254 | 0.90 | MAPT (0.45) | CYP19A1LMNACES1NPC1RAB9A | |
| SCHEMBL11534227 | 0.89 | LMNA (0.47) | CYP19A1LMNACES1CYP3A4SMN1; SMN2 | |
| SCHEMBL11538658 | 0.89 | CYP19A1 (0.45) | CYP19A1PGRLMNANPC1RAB9A | |
| SCHEMBL11531173 | 0.86 | TSHR (0.46) | CYP19A1LMNANPC1RAB9APOLB | |
| SCHEMBL11530465 | 0.86 | ALDH1A1 (0.42) | CYP19A1LMNACES1NPC1RAB9A | |
| SCHEMBL11531901 | 0.85 | SMN1; SMN2 (0.46) | CYP19A1LMNACES1RAB9ATSHR |
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-4140782-A | Combating fungi and nematodes with diphenyl-triazolyl-methanes | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | disclosed |