Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17987013 | 0.95 | TP53 (0.38) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL17987009 | 0.93 | NPC1 (0.43) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL17987007 | 0.88 | NPC1 (0.40) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL17841771 | 0.88 | ALDH1A1 (0.46) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL11898477 | 0.88 | ALDH1A1 (0.46) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL14506990 | 0.88 | ALDH1A1 (0.46) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL17987021 | 0.86 | HSD17B3 (0.41) | TP53NPC1RAB9ADRD3HTR2C | |
| SCHEMBL19078588 | 0.84 | MLNR (0.50) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14786665 | 0.84 | TSHR (0.46) | TP53RXRARXRBRXRGNPC1 | |
| SCHEMBL13152284 | 0.83 | NPC1 (0.46) | TP53RXRARXRBRXRGNPC1 |
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 |