Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588760 | 0.84 | KDM4E (0.60) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL25139448 | 0.81 | CREBBP (0.64) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL2590587 | 0.79 | CREBBP (0.61) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL2583451 | 0.79 | KDM4E (0.73) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL2546849 | 0.76 | CREBBP (0.69) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL12266541 | 0.76 | ALDH1A1 (0.69) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL5454067 | 0.76 | KDM4E (0.73) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL31208294 | 0.76 | KDM4E (0.73) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL1594267 | 0.75 | CREBBP (0.72) | ALDH1A1CREBBPKDM4ENOS1ESR1 | |
| SCHEMBL118684 | 0.75 | KDM4E (0.67) | ALDH1A1CREBBPKDM4ENOS1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5534517-A | (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression | ADIR ET COMPAGNIE (FR) | 1996-07-09 | — | — | US | disclosed |
| US-5387586-A | Analgesics, nervous system disorders | ADIR ET COMPAGNIE (FR) | 1995-02-07 | — | — | US | disclosed |
| EP-0613898-A1 | Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-09-07 | — | — | EP | disclosed |