Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL648702 | 0.74 | BCAT2 (0.40) | CYP2C9ADRA1A | |
| SCHEMBL9641947 | 0.74 | HSD17B10 (0.39) | ALDH1A1MAPT | |
| SCHEMBL9641657 | 0.72 | ADRA1A (0.32) | ALDH1A1MAPTADRA1A | |
| SCHEMBL9640746 | 0.70 | PTGS2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19RAB9A | |
| Barbituric Acid SCHEMBL9641626 | 0.69 | TDP2 (0.38) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL9641066 | 0.69 | CYP2C9 (0.36) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9641115 | 0.69 | PBRM1 (0.38) | — | |
| SCHEMBL9641143 | 0.69 | CYP19A1 (0.33) | ADRA1A | |
| SCHEMBL9641596 | 0.69 | — | — | |
| SCHEMBL9641951 | 0.68 | ALDH1A1 (0.35) | NPC1ALDH1A1MAPTRAB9AADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5106407-A | Algicides, funcilides, bactericides | THE DOW CHEMICAL COMPANY (US) | 1992-04-21 | — | — | US | disclosed |