Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CD209 | Q9NNX6 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798650 | 0.77 | KDM4E (0.46) | KDM4EMAPK1 | |
| SCHEMBL5962530 | 0.77 | MAOB (0.41) | CYP2C9TSHR | |
| SCHEMBL7931690 | 0.77 | CYP2C9 (0.60) | KDM4EMAPK1CYP2C9TSHR | |
| SCHEMBL1953356 | 0.77 | ALDH1A1 (0.49) | KDM4ERAB9AALOX5NPC1TSHR | |
| SCHEMBL19852539 | 0.77 | CYP3A4 (0.56) | CYP1A2RAB9ANPC1 | |
| SCHEMBL19683357 | 0.77 | NR2E1 (0.44) | CYP1A2KDM4EMAPK1TDP1CYP2C9 | |
| SCHEMBL22838174 | 0.76 | CYP1A2 (0.52) | AGXTCYP1A2CYP2A6KDM4EMAPK1 | |
| SCHEMBL14065428 | 0.76 | CA12 (0.66) | CYP1A2KDM4ETDP1RAB9ANPC1 | |
| SCHEMBL17996498 | 0.75 | TSHR (0.47) | CYP1A2KDM4ENPC1CYP2C9TSHR | |
| SCHEMBL6947144 | 0.74 | KMT2A (0.39) | RAB9ACYP2C9TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |