Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 2/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417930 | 0.92 | STING1 (0.43) | IMPDH2STING1S1PR1ERBB2EGFR | |
| SCHEMBL15535456 | 0.83 | TNKS2 (0.48) | EGFRALOX5MAPK1TSHR | |
| SCHEMBL7417680 | 0.83 | F13A1 (0.38) | IMPDH2IMPDH1HPGDFFAR1SMN1; SMN2 | |
| SCHEMBL28817318 | 0.82 | FFAR1 (0.46) | S1PR1ALOX5FFAR1FFAR4 | |
| SCHEMBL15535114 | 0.78 | GAA (0.46) | S1PR1HPGDTSHR | |
| SCHEMBL16978280 | 0.77 | SMN1; SMN2 (0.39) | EGFRHPGDALOX5CYP2C9POLB | |
| SCHEMBL15535108 | 0.76 | EGFR (0.36) | EGFRHPGDALOX5CYP2C9POLB | |
| SCHEMBL7416187 | 0.74 | FFAR1 (0.38) | IMPDH2HPGDFFAR1FFAR4 | |
| SCHEMBL16969026 | 0.73 | ERN1 (0.43) | HPGD | |
| SCHEMBL15534789 | 0.73 | KDM4E (0.43) | ALOX5SMN1; SMN2TSHR |
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 |