Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448642 | 0.83 | ERN1 (0.53) | S100A4ERN1GPR35ALDH5A1ABAT | |
| SCHEMBL7421989 | 0.81 | ERN1 (0.40) | S100A4ERN1GPR35ALDH5A1ABAT | |
| SCHEMBL10907248 | 0.79 | EGFR (0.49) | ERN1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL29652066 | 0.78 | GPR35 (0.54) | S100A4ERN1GPR35ALDH5A1ABAT | |
| SCHEMBL28208626 | 0.76 | MAPT (0.51) | HPGDTSHRALDH1A1MAPK1CYP3A4 | |
| SCHEMBL70085 | 0.72 | GPR35 (0.59) | S100A4GPR35ALDH5A1ABATTP53 | |
| SCHEMBL28223814 | 0.72 | ERN1 (0.53) | S100A4ERN1GPR35ALDH5A1ABAT | |
| SCHEMBL4217610 | 0.71 | TSHR (0.43) | S100A4GPR35TSHRALDH1A1CYP3A4 | |
| SCHEMBL11344292 | 0.71 | GPR35 (0.42) | S100A4GPR35ALDH5A1ABATTP53 | |
| SCHEMBL8311313 | 0.71 | GAA (0.55) | S100A4GPR35TP53HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6150412-A | SUCH AS 4-(5-HYDROXY-4-METHOXY-2-NITROPHENYL)BUTANOIC ACID; ADMINISTERING TO INHIBIT CATECHOL-O-METHYL TRANSFERASE; TREATING PARKINSON'S DISEASE OR HYPERTENSION | ORION-YHTYMA OY (FI) | 2000-11-21 | — | — | US | disclosed |
| WO-1996037456-A1 | NEW CATECHOL DERIVATIVES | Orion-Yhtymä Oy (FI) | 1996-11-28 | — | — | WO | disclosed |