Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17049276 | 0.93 | CYP3A4 (0.56) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL1774720 | 0.87 | CYP3A4 (0.42) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL9623466 | 0.86 | ALDH1A1 (0.43) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL374656 | 0.83 | ALDH1A1 (0.67) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL2157401 | 0.83 | ALDH1A1 (0.67) | CYP3A4ALDH1A1TDP1HPGDSMN1; SMN2 | |
| SCHEMBL28861605 | 0.82 | ALDH1A1 (0.47) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL542562 | 0.81 | CYP3A4 (0.43) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL11198956 | 0.81 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL11190260 | 0.79 | ALDH1A1 (0.45) | CYP3A4ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL9623392 | 0.79 | CYP3A4 (0.42) | CYP3A4ALDH1A1TDP1HPGDTSHR |
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-5032428-A | Wet coating, heat treatment, diffusion | FUJI PHOTO FILM CO., LTD. (JP) | 1991-07-16 | — | — | US | disclosed |
| US-4421905-A | METAL ACETYLACETONATE AS POLYMERIZATION CATALYSTS | PLASTICS ENGINEERING COMPANY (US) | 1983-12-20 | — | — | US | disclosed |