Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL14004003 | 0.97 | GPR84 (0.40) | CYP1A2CYP2A6GPR84MEN1KMT2A | |
| SCHEMBL3284757 | 0.95 | CYP1A2 (0.44) | CYP1A2CYP2A6GPR84L3MBTL1ALDH1A1 | |
| SCHEMBL14003983 | 0.91 | CYP1A2 (0.41) | CYP1A2CYP2A6GPR84MEN1KMT2A | |
| SCHEMBL12744272 | 0.89 | CYP1A2 (0.42) | CYP1A2CYP2A6GPR84L3MBTL1ALDH1A1 | |
| SCHEMBL36539 | 0.89 | CYP1A2 (0.42) | CYP1A2CYP2A6GPR84MEN1KMT2A | |
| SCHEMBL29360067 | 0.89 | CYP1A2 (0.42) | CYP1A2CYP2A6GPR84MEN1KMT2A | |
| SCHEMBL14004004 | 0.88 | CYP1A2 (0.34) | CYP1A2CYP2A6GPR84MEN1KMT2A | |
| SCHEMBL7065426 | 0.87 | ALDH1A1 (0.38) | CYP1A2GPR84MEN1KMT2AL3MBTL1 | |
| SCHEMBL22338754 | 0.87 | ALDH1A1 (0.39) | CYP1A2GPR84MEN1KMT2AL3MBTL1 | |
| SCHEMBL75967 | 0.87 | ALDH1A1 (0.38) | CYP1A2GPR84MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7910687-B2 | Conjugated polymers containing arylamine units, the representation thereof and the use of the same | MERCK PATENT GMBH (DE) | 2011-03-22 | — | — | US | disclosed |
| US-7910687-B2 | Conjugated polymers containing arylamine units, the representation thereof and the use of the same | MERCK PATENT GMBH (DE) | 2011-03-22 | — | — | US | disclosed |