Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.78 |
| ▸ | PRKDC | P78527 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HMGCR | P04035 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3136850 | 0.93 | ALDH1A1 (0.90) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL333451 | 0.88 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL29456596 | 0.88 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL27489564 | 0.86 | ALDH1A1 (0.95) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL10849623 | 0.85 | ALDH1A1 (0.86) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL918825 | 0.85 | CYP1A1 (0.61) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL918824 | 0.85 | CYP1A1 (0.61) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL30865007 | 0.84 | ALDH1A1 (0.75) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL5698339 | 0.82 | ALDH1A1 (0.81) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL24311483 | 0.82 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRTDP1PRKDC |
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-8197722-B2 | Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-06-12 | — | — | US | disclosed |