Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HRAS | P01112 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28760175 | 1.00 | CA1 (0.45) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL1012491 | 0.82 | CA1 (0.53) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL10659989 | 0.82 | CA1 (0.53) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL721423 | 0.82 | CA1 (0.53) | CA1CA2CA9MMP2NPC1 | |
| Hydrochloric Acid SCHEMBL857895 | 0.81 | CA1 (0.51) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL8150075 | 0.79 | RAB9A (0.46) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL28160114 | 0.79 | CA1 (0.54) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL9100976 | 0.79 | TSHR (0.46) | NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL28411652 | 0.76 | TRPA1 (0.44) | CA1CA2CA9MMP2NPC1 | |
| SCHEMBL28411649 | 0.76 | TRPA1 (0.44) | CA1CA2CA9MMP2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1901916-A | Quinazolinone compounds with reduced in vivo accumulation | CHIRON CORP (US) | 2007-01-24 | — | — | CN | disclosed |
| CN-1829517-A | Guanidino-substituted quinazolines as MC 4-R agonists | CHIRON CORP (US) | 2006-09-06 | — | — | CN | disclosed |