Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17973768 | 0.94 | NPC1 (0.39) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL17973770 | 0.94 | NPC1 (0.34) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL17973778 | 0.90 | NPC1 (0.36) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL19798782 | 0.89 | NPC1 (0.38) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL17973766 | 0.89 | NPC1 (0.38) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL17430706 | 0.87 | ALDH1A1 (0.39) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL15458034 | 0.87 | CYP2C19 (0.42) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL15458038 | 0.87 | CYP2C19 (0.42) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL15458042 | 0.87 | CYP2C19 (0.42) | NPC1RAB9AMAPK1SMN1; SMN2LMNA | |
| SCHEMBL17973783 | 0.84 | NPC1 (0.35) | NPC1RAB9AMAPK1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20160225998-A1 | CHARGE-TRANSPORTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2016-08-04 | — | — | US | disclosed |