Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | F13A1 | P00488 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | THPO | P40225 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328367 | 1.00 | CA12 (0.43) | CA12F13A1CA2CYP1A2ALOX15 | |
| Hydrochloric Acid SCHEMBL9190866 | 0.98 | LMNA (0.45) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL9185412 | 0.86 | CYP2C19 (0.41) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL9067349 | 0.86 | CYP2C19 (0.41) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL7524597 | 0.84 | CA12 (0.37) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL6722894 | 0.82 | ALDH1A1 (0.56) | CYP1A2TSHRCYP2C19ALDH1A1EPHX1 | |
| SCHEMBL23200340 | 0.81 | CASP2 (0.46) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL21799791 | 0.81 | TSHR (0.65) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL16269067 | 0.81 | TSHR (0.65) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL21794160 | 0.81 | TSHR (0.65) | CA12F13A1CA2CYP1A2ALOX15 |
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-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 |