Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | SELE | P16581 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5010437 | 0.71 | ICAM1 (0.46) | POLBICAM1SELEVCAM1CYP3A4 | |
| SCHEMBL6971898 | 0.69 | CYP3A4 (0.38) | ICAM1SELEVCAM1CYP3A4HDAC3 | |
| SCHEMBL28928124 | 0.65 | CYP3A4 (0.37) | POLBICAM1SELEVCAM1CYP3A4 | |
| SCHEMBL1179568 | 0.62 | ADRB2 (0.32) | CYP3A4CDK2ALDH1A1 | |
| SCHEMBL20094443 | 0.62 | ADRB2 (0.32) | CYP3A4CDK2ALDH1A1 | |
| SCHEMBL23517238 | 0.61 | ADRB2 (0.34) | CYP3A4GAA | |
| SCHEMBL111872 | 0.61 | HCAR2 (0.46) | POLBICAM1SELEVCAM1CYP3A4 | |
| SCHEMBL1666884 | 0.61 | ALDH1A1 (0.54) | POLBICAM1SELEVCAM1CYP3A4 | |
| SCHEMBL30745582 | 0.60 | HDAC3 (0.49) | POLBICAM1SELEVCAM1CYP3A4 | |
| Nitrous Acid SCHEMBL28928125 | 0.60 | HCAR2 (0.41) | POLBICAM1SELEVCAM1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |