Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL27559620 | 0.87 | TDP1 (0.61) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL29084055 | 0.85 | TDP1 (0.56) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL1739439 | 0.79 | TDP1 (0.73) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL29086538 | 0.79 | TDP1 (0.73) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL28182817 | 0.78 | TDP1 (1.00) | TDP1KEAP1FFAR1ALDH1A1HDAC2 | |
| SCHEMBL337736 | 0.78 | TDP1 (0.70) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.76 | TDP1 (0.68) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL7280263 | 0.76 | TDP1 (0.68) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL155716 | 0.76 | TDP1 (0.68) | TDP1KEAP1FFAR1ALDH1A1KMT2A | |
| SCHEMBL4342735 | 0.76 | TDP1 (0.68) | TDP1KEAP1FFAR1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1064289-A1 | HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999047529-A1 | HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 1999-09-23 | — | — | WO | disclosed |