Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7470964 | 0.77 | HTT (0.53) | HTTCYP19A1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL7466490 | 0.77 | HTT (0.53) | HTTCYP19A1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL6929818 | 0.73 | ALDH3A1 (0.58) | ALDH3A1HTTCYP19A1HCAR3ALDH1A1 | |
| SCHEMBL10024461 | 0.73 | ALDH1A1 (0.57) | HTTHCAR3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23499834 | 0.72 | MAPT (0.55) | HTTCYP19A1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL27864377 | 0.72 | HTT (0.55) | HTTCYP19A1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL6395129 | 0.71 | ALDH3A1 (0.67) | ALDH3A1HTTCYP19A1TDP1HCAR3 | |
| Propionaldehyde SCHEMBL28103120 | 0.71 | CYP19A1 (0.59) | HTTCYP19A1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL16994101 | 0.71 | ALDH1A1 (0.60) | HTTTDP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10878837 | 0.71 | HTT (0.62) | HTTCYP19A1TDP1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012053606-A1 | ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-26 | — | — | WO | disclosed |