Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.44 |
| ▸ | NQO2 | P16083 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13367670 | 0.96 | CYP1A2 (0.57) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL16344377 | 0.95 | CYP1A2 (0.55) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL15183851 | 0.95 | CYP1A2 (0.55) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL12047972 | 0.93 | CYP1A2 (0.53) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL12412340 | 0.93 | CYP2A6 (0.53) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL1680166 | 0.92 | CYP1A2 (0.50) | CYP1A2CYP2A6LMNATDP1L3MBTL1 | |
| SCHEMBL12047823 | 0.90 | CYP1A2 (0.50) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL12048454 | 0.89 | CYP1A2 (0.49) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT | |
| SCHEMBL14515932 | 0.88 | CA1 (0.46) | CYP1A2CYP2A6TDP1L3MBTL1NPC1 | |
| SCHEMBL20257292 | 0.87 | CYP2A6 (0.53) | CYP1A2CYP2A6SMN1; SMN2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021036158-A1 | ORGANIC SMALL MOLECULE HOLE INJECTION/TRANSPORT MATERIAL AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 华南理工大学 | 2021-03-04 | — | — | WO | disclosed |
| CN-107954884-A | High glass-transition temperature hole-injecting material and its preparation and application | 华南理工大学 | 2018-04-24 | — | — | CN | disclosed |