Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19118974 | 0.89 | EPHX1 (0.35) | EPHX1CA12CA6CA7CA9 | |
| SCHEMBL817593 | 0.81 | DNM1 (0.47) | EPHX1DNM1CA12CA1CA2 | |
| SCHEMBL20425510 | 0.81 | DNM1 (0.53) | EPHX1DNM1CA12CA1CA2 | |
| SCHEMBL9185412 | 0.79 | CYP2C19 (0.41) | EPHX1DNM1CA12CA1CA2 | |
| SCHEMBL9067349 | 0.79 | CYP2C19 (0.41) | EPHX1DNM1CA12CA1CA2 | |
| SCHEMBL9723372 | 0.78 | EPHX1 (0.65) | EPHX1TSHRALDH1A1FDPS | |
| SCHEMBL34358 | 0.78 | — | — | |
| SCHEMBL487567 | 0.78 | — | — | |
| SCHEMBL8502653 | 0.78 | EPHX1 (0.55) | EPHX1DNM1CA12CA1CA2 | |
| SCHEMBL1408879 | 0.78 | EPHX1 (0.55) | EPHX1DNM1CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311068-A2 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-12 | — | — | EP | claimed |
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | disclosed |
| EP-0311068-A2 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-12 | — | — | EP | disclosed |