Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | THPO | P40225 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8317100 | 0.81 | TDP1 (0.46) | ALDH1A1TSHRSMN1; SMN2TDP1KDM4E | |
| SCHEMBL7338995 | 0.81 | HIF1A (0.58) | ALDH1A1TSHRSMN1; SMN2TDP1KDM4E | |
| SCHEMBL8379178 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2CYP2C9ALOX15 | |
| SCHEMBL8379183 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2CYP2C9ALOX15 | |
| SCHEMBL8320924 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRSMN1; SMN2ALOX15ADRB3 | |
| SCHEMBL14032606 | 0.79 | ALDH1A1 (0.66) | ALDH1A1TSHRSMN1; SMN2ALOX15MAPT | |
| SCHEMBL11575597 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRSMN1; SMN2TDP1KDM4E | |
| SCHEMBL6831673 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRSMN1; SMN2ALOX15ADRB3 | |
| Hydrochloric Acid SCHEMBL9778047 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2TDP1KDM4E | |
| SCHEMBL6319835 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRSMN1; SMN2TDP1KDM4E |
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-4108973-A | OXIDATION | HOFFMANN-LA ROCHE INC. (US) | 1978-08-22 | — | — | US | claimed |