Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | GCGR | P47871 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29788059 | 0.93 | TYR (0.39) | RARBCNR1CNR2ADORA3TYR | |
| SCHEMBL26954969 | 0.85 | KCNH2 (0.45) | RARBCNR1CNR2GCGRADORA3 | |
| SCHEMBL19699348 | 0.85 | SIRT2 (0.34) | RARBCNR1CNR2ADORA3TYR | |
| SCHEMBL24608980 | 0.84 | KCNH2 (0.44) | RARBCNR1CNR2GCGRADORA3 | |
| SCHEMBL19706339 | 0.81 | CTSV (0.40) | CYP3A4 | |
| SCHEMBL21370577 | 0.80 | RARB (0.48) | RARBCNR1CNR2TYRMEN1 | |
| SCHEMBL24608981 | 0.80 | RARB (0.41) | RARBCNR1CNR2GCGRADORA3 | |
| SCHEMBL21370524 | 0.78 | RARB (0.46) | RARBCNR1CNR2TYRMEN1 | |
| SCHEMBL21982508 | 0.77 | TYR (0.47) | CNR1CNR2TYRMEN1TP53 | |
| SCHEMBL23660954 | 0.77 | MEN1 (0.41) | RARBCNR1CNR2TYRMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9525134-B1 | Hole transport materials | E I DU PONT DE NEMOURS AND COMPANY (US) | 2016-12-20 | — | — | US | disclosed |
| US-9525134-B1 | Hole transport materials | E I DU PONT DE NEMOURS AND COMPANY (US) | 2016-12-20 | — | — | US | disclosed |