Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 11/20 | 0.50 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL17409153 | 1.00 | KIF11 (0.50) | KIF11NPBWR1CYP1A1CYP1B1MAOB | |
| SCHEMBL17409156 | 1.00 | KIF11 (0.50) | KIF11NPBWR1CYP1A1CYP1B1MAOB | |
| SCHEMBL9999807 | 0.94 | TSHR (0.42) | KIF11CYP1A1CYP1B1ALDH1A1BCHE | |
| SCHEMBL17110032 | 0.87 | KIF11 (0.61) | KIF11NPBWR1CYP1A1CYP1B1MAOB | |
| SCHEMBL13019482 | 0.87 | KIF11 (0.61) | KIF11NPBWR1CYP1A1CYP1B1MAOB | |
| SCHEMBL1044865 | 0.87 | KIF11 (0.61) | KIF11NPBWR1CYP1A1CYP1B1MAOB | |
| SCHEMBL20100708 | 0.87 | CYP1A1 (0.48) | KIF11CYP1A1CYP1B1 | |
| SCHEMBL14210110 | 0.84 | NPC1 (0.51) | ALDH1A1TSHR | |
| SCHEMBL15615059 | 0.83 | TSHR (0.46) | KIF11ALDH1A1ACHETSHR | |
| SCHEMBL18193972 | 0.83 | KIF11 (0.50) | KIF11CYP1A1CYP1B1ALDH1A1 |
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 |