Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 8/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4948557 | 0.86 | TTR (0.51) | TTRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL1447172 | 0.72 | COMT (0.46) | TTRMAPTTP53RAB9ACOMT | |
| SCHEMBL4951393 | 0.72 | TTR (0.34) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL4948740 | 0.72 | TTR (0.37) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL7368380 | 0.72 | TTR (0.81) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL3583549 | 0.71 | TTR (0.69) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| Bromide SCHEMBL7365276 | 0.70 | TTR (0.78) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL4949041 | 0.70 | TTR (0.35) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL7363624 | 0.70 | TTR (1.00) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL3588102 | 0.68 | TTR (0.69) | TTRGPR35KDM4EMEN1ALDH1A1 |
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 |