Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL23558872 | 0.78 | THRB (0.37) | ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL28787295 | 0.75 | — | — | |
| SCHEMBL11549002 | 0.74 | CA2 (0.37) | ALDH1A1CA2HSD17B10KDM4EMAPK1 | |
| SCHEMBL17818419 | 0.70 | OPRD1 (0.38) | CA1CA2CHRNB4CHRNA3CA12 | |
| SCHEMBL6906914 | 0.69 | CYP3A4 (0.37) | ALDH1A1LMNAHPGDHSD17B10MAPT | |
| SCHEMBL9478569 | 0.68 | ALDH1A1 (0.49) | ALDH1A1HPGDTDP1MAPTTP53 | |
| SCHEMBL17818432 | 0.68 | CHRNB4 (0.41) | ALDH1A1CA1CA2LMNAHPGD | |
| Pyrogallol SCHEMBL3175241 | 0.66 | CA1 (0.60) | ALDH1A1CA1CA2LMNAHPGD | |
| SCHEMBL23558775 | 0.66 | MCL1 (0.33) | HPGDEGFR | |
| SCHEMBL23558909 | 0.66 | ESR1 (0.38) | CA1CA2CHRNB4CHRNA3CYP3A4 |
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-1998006691-A2 | LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |