Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | DDX3X | O00571 | 2/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 14/20 | 0.53 |
| ▸ | CIT | O14578 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16646786 | 1.00 | ALDH1A1 (0.55) | ALDH1A1DDX3XAAK1CITHDAC3 | |
| SCHEMBL26464135 | 0.85 | AAK1 (0.53) | AAK1CIT | |
| SCHEMBL7376207 | 0.83 | AAK1 (0.64) | ALDH1A1AAK1CIT | |
| SCHEMBL7376209 | 0.83 | AAK1 (0.64) | ALDH1A1AAK1CIT | |
| SCHEMBL17152414 | 0.82 | AAK1 (0.50) | ALDH1A1AAK1CITSMN1; SMN2 | |
| SCHEMBL10797393 | 0.81 | AAK1 (0.67) | AAK1CIT | |
| Hydrochloric Acid SCHEMBL10788646 | 0.81 | AAK1 (0.62) | ALDH1A1AAK1CIT | |
| SCHEMBL520125 | 0.81 | ALDH1A1 (0.66) | ALDH1A1DDX3XHDAC3HDAC4HDAC1 | |
| SCHEMBL21580312 | 0.81 | TP53 (0.61) | ALDH1A1AAK1SMN1; SMN2 | |
| SCHEMBL21580315 | 0.81 | TP53 (0.61) | ALDH1A1AAK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3054955-B1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |