Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NQO2 | P16083 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11783187 | 0.85 | RAB9A (0.51) | ALDH1A1KDM4EMAPTHPGDNQO2 | |
| SCHEMBL15398944 | 0.78 | ALDH1A1 (0.82) | ALDH1A1KDM4EMAPTHPGDNQO2 | |
| SCHEMBL9262344 | 0.77 | ESR1 (0.57) | ALDH1A1MAPTHPGDNQO2TDP1 | |
| SCHEMBL9262340 | 0.77 | ESR1 (0.57) | ALDH1A1MAPTHPGDNQO2TDP1 | |
| SCHEMBL10357853 | 0.76 | NQO2 (0.47) | ALDH1A1KDM4EMAPTHPGDNQO2 | |
| SCHEMBL9321894 | 0.76 | ESR1 (0.69) | NQO2CYP3A4CYP19A1ESR1ESR2 | |
| SCHEMBL9321897 | 0.76 | ESR1 (0.69) | NQO2CYP3A4CYP19A1ESR1ESR2 | |
| SCHEMBL9519828 | 0.75 | HDAC3 (0.49) | ALDH1A1MAPTNQO2F3MAOB | |
| SCHEMBL9519824 | 0.75 | HDAC3 (0.49) | ALDH1A1MAPTNQO2F3MAOB | |
| SCHEMBL9519833 | 0.75 | HDAC3 (0.49) | ALDH1A1MAPTNQO2F3MAOB |
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-4115310-A | QUARTERNARY AMMONIUM SALT OF BENZOIC ACID, NEMATIC | DAINIPPON INK & CHEMICALS INC. (JP) | 1978-09-19 | — | — | US | disclosed |