Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 7/20 | 0.63 |
| ▸ | RAB9A | P51151 | 7/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.54 |
| ▸ | TUBB | P07437 | 1/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10623834 | 0.88 | RELA (0.83) | RELANPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL10623831 | 0.88 | RELA (0.83) | RELANPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL10615018 | 0.85 | CYP2D6 (0.66) | RELANPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL9650520 | 0.84 | CCNC (0.60) | RELANPC1SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL13267808 | 0.82 | RELA (0.74) | RELANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1901790 | 0.81 | — | — | |
| SCHEMBL22009101 | 0.81 | CYP1A1 (0.62) | RELANPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL436231 | 0.80 | RELA (1.00) | RELANPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL5496408 | 0.80 | ESR1 (0.79) | RELACYP1A2CYP3A4ESR1AHR | |
| SCHEMBL5496415 | 0.80 | ESR1 (0.79) | RELACYP1A2CYP3A4ESR1AHR |
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 |