Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7806446 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL7532470 | 0.82 | PTPN1 (0.58) | CYP1A2KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL7532475 | 0.82 | PTPN1 (0.58) | CYP1A2KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL7802340 | 0.80 | CYP1A1 (0.55) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL7529680 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL7529691 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL7524206 | 0.76 | PTGS2 (0.52) | CYP1A2KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL7524215 | 0.76 | PTGS2 (0.52) | CYP1A2KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL7796217 | 0.74 | KDM4E (0.61) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL6673290 | 0.73 | ABCB1 (0.55) | CYP1A2KDM4EALDH1A1HSD17B10MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815087-B1 | TRISUBSTITUTED PHENYL DERIVATIVES | NOVARTIS AG (CH) | 2001-11-14 | — | — | EP | disclosed |
| US-5990116-A | USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE | NOVARTIS AG (CH) | 1999-11-23 | — | — | US | disclosed |
| EP-0815087-A1 | TRISUBSTITUTED PHENYL DERIVATIVES | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028430-A1 | TRISUBSTITUTED PHENYL DERIVATIVES | NOVARTIS AG (CH) | 1996-09-19 | — | — | WO | disclosed |