Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27339834 | 0.84 | ALDH1A1 (0.59) | ALDH1A1DNM1KDM4EKMT2A | |
| SCHEMBL15600779 | 0.84 | ALDH1A1 (0.42) | ALDH1A1DNM1KDM4ECA1CA2 | |
| SCHEMBL108355 | 0.82 | DNM1 (0.42) | ALDH1A1DNM1KDM4ECA1CA2 | |
| SCHEMBL11436694 | 0.82 | DNM1 (0.42) | ALDH1A1DNM1KDM4ECA1CA2 | |
| SCHEMBL14381990 | 0.81 | DNM1 (0.39) | ALDH1A1DNM1KDM4ECA1CA2 | |
| SCHEMBL1395636 | 0.80 | SLC6A19 (0.44) | ALDH1A1KMT2ASLC6A19 | |
| SCHEMBL2535335 | 0.80 | SLC6A19 (0.44) | ALDH1A1KMT2ASLC6A19 | |
| SCHEMBL1395660 | 0.80 | SLC6A19 (0.44) | ALDH1A1KMT2ASLC6A19 | |
| SCHEMBL19669755 | 0.79 | ALDH1A1 (0.39) | ALDH1A1DNM1KDM4ECA1CA2 | |
| SCHEMBL8412480 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2SLC6A19 |
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-9834571-B2 | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |