Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | F13A1 | P00488 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9185412 | 1.00 | CYP2C19 (0.41) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| Hydrochloric Acid SCHEMBL5485283 | 0.88 | CYP2C19 (0.44) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL9328367 | 0.86 | CA12 (0.43) | CYP2C19MEN1KMT2ACYP1A2TSHR | |
| SCHEMBL9178114 | 0.86 | CA12 (0.43) | CYP2C19MEN1KMT2ACYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL9190866 | 0.85 | LMNA (0.45) | CYP2C19MEN1KMT2ACYP1A2TSHR | |
| SCHEMBL23093989 | 0.80 | CYP1A2 (0.60) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL21799840 | 0.80 | CYP1A2 (0.60) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL20968104 | 0.80 | CYP1A2 (0.60) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL8501062 | 0.80 | CYP1A2 (0.60) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL18235893 | 0.80 | CYP1A2 (0.60) | CYP2C19MEN1KMT2AGLACYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662829-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-19 | — | — | EP | claimed |
| WO-1994007480-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-04-14 | — | — | WO | claimed |
| US-5561136-A | USING VINBLASTINE AS SYNERGISTIC CYTOTOXIC AGENT | MERRELL PHARMACEUTICALS INC. (US) | 1996-10-01 | — | — | US | disclosed |
| EP-0662829-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994007480-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-04-14 | — | — | WO | disclosed |
| EP-0490380-A2 | Use of N,N'-bis 3-(ethylamino)propyl -1,7-heptanediamine and a cytotoxic agent | MERRELL PHARMACEUTICALS INC. (US) | 1992-06-17 | — | — | EP | disclosed |