Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.41 |
| ▸ | KDM4A | O75164 | 2/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16489729 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL12593363 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL16489750 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL15678724 | 0.95 | RARB (0.43) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL13020946 | 0.94 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9SPHK1TRPM2 | |
| SCHEMBL18680258 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL7718254 | 0.93 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL9915627 | 0.93 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CA1CA2 | |
| SCHEMBL16489741 | 0.90 | RELA (0.57) | CYP3A4TP53LMNAHPGDCYP1A2 | |
| SCHEMBL13239570 | 0.90 | CNR2 (0.45) | CYP3A4CYP2D6CYP2C9CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9574084-B2 | Hole transport composition | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-02-21 | — | — | US | disclosed |
| US-20130150536-A1 | HOLE TRANSPORT COMPOSITION | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-06-13 | — | — | US | disclosed |
| US-8343381-B1 | Hole transport composition | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-01 | — | — | US | disclosed |
| US-20080097076-A1 | HOLE TRANSPORT POLYMERS | E. I. DU PONT DE NEMOURS AND COMPANY | 2008-04-24 | — | — | US | disclosed |