Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL636521 | 1.00 | CYP1A2 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Bicarbonate SCHEMBL3836308 | 0.90 | CYP1A2 (0.55) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Bicarbonate SCHEMBL636595 | 0.90 | CYP1A2 (0.55) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Bicarbonate SCHEMBL2585744 | 0.90 | CYP1A2 (0.55) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Carbamic Acid SCHEMBL15123720 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Acetic Acid SCHEMBL29538855 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Acetic Acid SCHEMBL28736368 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Carbamic Acid SCHEMBL2581160 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Carbamic Acid SCHEMBL9232567 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB | |
| Acetic Acid SCHEMBL28706282 | 0.85 | ALDH1A1 (0.50) | CYP1A2HSD17B10ALDH1A1HPGDTHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917311-B1 | Rylene based multiple chromophores | BASF SE (DE) | 2015-09-23 | — | — | EP | disclosed |
| EP-1917311-A2 | MULTIPLE CHROMOPHORES | BASF SE (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007014902-A2 | MULTIPLE CHROMOPHORES BASED ON RYLENE | BASF SE (DE) | 2007-02-08 | — | — | WO | disclosed |