Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYBB | P04839 | 1/20 | 0.35 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | UBE2N | P61088 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4614643 | 0.74 | KMT2A (0.46) | GRM2MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL28758597 | 0.67 | DRD2 (0.38) | MEN1KMT2AALDH1A1SMN1; SMN2DRD2 | |
| SCHEMBL27749333 | 0.64 | GRM2 (0.41) | GRM2MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL28744195 | 0.63 | MEN1 (0.40) | MEN1KMT2AALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL4616558 | 0.61 | LMNA (0.43) | GRM2MEN1KMT2ASMN1; SMN2TP53 | |
| SCHEMBL27850461 | 0.61 | BRD4 (0.36) | ALDH1A1SMN1; SMN2DRD2DRD4LMNA | |
| SCHEMBL9572542 | 0.61 | ALDH1A1 (0.60) | MEN1KMT2AALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL12062891 | 0.61 | KMT2A (0.49) | MEN1KMT2AALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL3860379 | 0.61 | CA2 (0.56) | GRM2MEN1KMT2AALDH1A1CHRM5 | |
| SCHEMBL12719515 | 0.61 | MAOB (0.40) | KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1909909-B | 1-benzyl-5-piperazin-1-yl-3, 4 dihydro-1H-quinazolin-2-one derivatives and each of 1H-benzo (1, 2, 6) thiadiazin-2, 2-dioxide and 1, 4-dihydro-benzo (D) (1, 3) × oxazin-2-one derivatives as 5-hydroxytryptamine receptor (5-HT) modulators for the treatment of central nervous system diseases | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |