Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 3/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416187 | 0.91 | FFAR1 (0.38) | FFAR1KDM4EALDH1A1GLAGAA | |
| SCHEMBL7410317 | 0.83 | IMPDH2 (0.40) | FFAR1HPGDFFAR4SMN1; SMN2IMPDH2 | |
| SCHEMBL15534992 | 0.80 | KDM4E (0.36) | KDM4EMAPT | |
| SCHEMBL11033418 | 0.75 | F13A1 (0.40) | F13A1FFAR1MAPTRXFP1HSD17B10 | |
| SCHEMBL15535458 | 0.75 | RXRA (0.43) | FFAR1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL7417930 | 0.73 | STING1 (0.43) | FFAR1ALDH1A1HPGDFFAR4KDM5B | |
| SCHEMBL16969037 | 0.73 | FFAR1 (0.45) | FFAR1FFAR4 | |
| SCHEMBL15535460 | 0.72 | ESR1 (0.32) | — | |
| SCHEMBL15535802 | 0.72 | ESR1 (0.36) | KDM4EALDH1A1GAAHPGDMAPT | |
| SCHEMBL10763138 | 0.71 | KMO (0.36) | F13A1FFAR1FFAR4SMN1; SMN2 |
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 |