Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | TGM2 | P21980 | 2/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11633259 | 1.00 | CHEK1 (0.48) | CHEK1CES1TGM2LRRK2MAPT | |
| SCHEMBL11553316 | 0.84 | CES1 (0.42) | CES1KMT2A | |
| SCHEMBL11747036 | 0.82 | LRRK2 (0.39) | TGM2LRRK2MAPTMEN1KMT2A | |
| SCHEMBL4896663 | 0.80 | ACVR1 (0.42) | CHEK1LRRK2MAPTMEN1GAA | |
| SCHEMBL11552976 | 0.78 | HTT (0.33) | CES1HPGD | |
| SCHEMBL11751541 | 0.77 | CA12 (0.33) | TP53CASP1 | |
| SCHEMBL11632485 | 0.73 | CA2 (0.37) | CES1MAPTMEN1GAAKMT2A | |
| SCHEMBL11633154 | 0.71 | CES1 (0.38) | CHEK1CES1TGM2LRRK2MAPT | |
| SCHEMBL13868943 | 0.68 | CHEK1 (0.59) | CHEK1CES1TGM2AHRCMA1 | |
| SCHEMBL13868946 | 0.68 | CHEK1 (0.59) | CHEK1CES1TGM2AHRCMA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4087421-A | NEUROLEPTIC, ANTI-DEPRESSANT AND ANALGESTIC ACTIVITY | AMERICAN CYANAMID COMPANY (US) | 1978-05-02 | — | — | US | disclosed |
| US-4007272-A | Substituted benzodiazepin-10-ones in treating pain and depression | AMERICAN CYANAMID COMPANY (US) | 1977-02-08 | — | — | US | disclosed |
| US-3953430-A | ANTIDEPRESSANTS, ANALGESICS | AMERICAN CYANAMID COMPANY (US) | 1976-04-27 | — | — | US | disclosed |
| US-3951981-A | NEUROLEPTIC, ANALGESIC | AMERICAN CYANAMID COMPANY (US) | 1976-04-20 | — | — | US | disclosed |