Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22009357 | 0.81 | RELA (0.67) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL10423998 | 0.77 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL10423997 | 0.77 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL5252022 | 0.76 | KDM4E (0.50) | CYP1A1CYP1B1KDM4ENPC1HPGD | |
| SCHEMBL22009364 | 0.75 | HPGD (0.63) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL7201198 | 0.73 | RELA (0.65) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL9008826 | 0.73 | RELA (0.65) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL3623618 | 0.73 | KDM4E (0.47) | CYP1A1CYP1B1KDM4ENPC1HPGD | |
| SCHEMBL1125718 | 0.73 | ALDH1A1 (0.55) | KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL9113741 | 0.73 | KDM4E (0.47) | CYP1A1CYP1B1KDM4ENPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041904-B1 | STYRYL SULFIDE DYES | BASF SE (DE) | 2020-05-20 | — | — | EP | disclosed |