Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 5/20 | 0.65 |
| ▸ | TP53 | P04637 | 3/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.61 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.59 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27733480 | 0.81 | MAPT (0.77) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL7371659 | 0.78 | POLB (0.57) | POLBTP53MAPTS1PR1 | |
| SCHEMBL1447455 | 0.77 | POLB (0.55) | POLBTP53NPC1MAPTS1PR1 | |
| SCHEMBL13416802 | 0.76 | S1PR1 (1.00) | TP53NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL1422793 | 0.76 | CHRNB2 (0.67) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL19766692 | 0.75 | RAB9A (0.78) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL1422941 | 0.75 | CHRNB2 (1.00) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL2458286 | 0.75 | MAPK1 (0.78) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL2455620 | 0.74 | CHRNB2 (1.00) | POLBTP53NPC1MAPTRAB9A | |
| SCHEMBL13417017 | 0.74 | S1PR1 (1.00) | POLBTP53NPC1MAPTRAB9A |
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-102816157-A | Nitrocatechol derivatives as COMT inhibitors | BIAL PORTELA & CA SA | 2012-12-12 | — | — | CN | disclosed |
| CN-101248064-A | Nitrocatechol derivatives as COMT inhibitors | PORTELA & CA SA (PT) | 2008-08-20 | — | — | CN | disclosed |