Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7898334 | 1.00 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL7897216 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL7897215 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL12920192 | 0.80 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL10950395 | 0.78 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL10950397 | 0.78 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL9416019 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL7854681 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL24434700 | 0.75 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL12567372 | 0.75 | RELA (0.65) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746986-B1 | Delayed release flavourant compositions | GIVAUDAN ROURE INT (CH) | 2000-08-23 | — | — | EP | claimed |
| EP-0746986-A2 | Delayed release flavourant compositions | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1996-12-11 | — | — | EP | claimed |
| US-6194019-B1 | ORGANOLEPTIC 1,2-DIOL DISUBSTITUTED WITH PHENYL, CYCLOHEXYL, OR BENZODIOXOLE RINGS; FOODS, TOBACCO; MASKING SMOKE ODORS | GIVAUDAN S.A. (CH) | 2001-02-27 | — | — | US | disclosed |
| EP-0746986-B1 | Delayed release flavourant compositions | GIVAUDAN ROURE INT (CH) | 2000-08-23 | — | — | EP | disclosed |
| US-5921247-A | Delayed release flavorant compositions | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1999-07-13 | — | — | US | disclosed |
| US-5904148-A | Delayed release flavorant compositions | GIVADUAN-ROURE (INTERNATIONAL) SA (CH) | 1999-05-18 | — | — | US | disclosed |
| EP-0746986-A2 | Delayed release flavourant compositions | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1996-12-11 | — | — | EP | disclosed |