Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | PPIB | P23284 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31649958 | 0.83 | GRIN1 (0.45) | GRIN1GRIN2AGRIN2BPDE7APDE3B | |
| SCHEMBL11819676 | 0.80 | PDE3B (0.47) | PDE7APDE3BPDE3AKDM4EKLK7 | |
| SCHEMBL31650373 | 0.79 | ACHE (0.46) | GRIN1GRIN2AGRIN2BPDE7APDE3B | |
| SCHEMBL8597253 | 0.79 | PDE3B (0.47) | PDE3BPDE3AKDM4EKLK7METAP1 | |
| SCHEMBL8601620 | 0.79 | KDM4E (0.53) | KDM4EMETAP1ACHECA1CA2 | |
| SCHEMBL8599412 | 0.78 | KDM4E (0.54) | KDM4EMETAP1ACHECA1CA2 | |
| SCHEMBL11547924 | 0.76 | PDE7A (0.42) | PDE7AMETAP1ALDH1A1 | |
| SCHEMBL11544646 | 0.76 | PBRM1 (0.44) | KDM4ECA1CA2CA7CA9 | |
| SCHEMBL11545783 | 0.76 | HDAC4 (0.37) | ACHECA1CA2CA7CA9 | |
| SCHEMBL29341181 | 0.76 | S100A4 (0.38) | KDM4EMETAP1CA1CA2CA4 |
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-0657426-B1 | Tricyclic pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 1998-07-22 | — | — | EP | disclosed |
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |
| US-4172093-A | Pharmacodynamically active indan derivatives | AB KABI (SE) | 1979-10-23 | — | — | US | disclosed |