Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9701638 | 0.80 | EGFR (0.38) | CA12CA2CA9CA1TAAR1 | |
| SCHEMBL9702758 | 0.78 | HDAC1 (0.38) | KDM4EPARP1CYP3A4HSD17B10TDP1 | |
| SCHEMBL27967254 | 0.77 | CA12 (0.39) | ALDH1A1KDM4EPARP1CA12CA2 | |
| SCHEMBL9702759 | 0.76 | MAPT (0.41) | ALDH1A1KDM4ECA12CA2CA9 | |
| SCHEMBL9700906 | 0.76 | EGFR (0.43) | ALDH1A1KDM4ECA12CA2CA9 | |
| SCHEMBL10728364 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4EPARP1CA12CA2 | |
| SCHEMBL2178782 | 0.71 | PARP1 (0.61) | ALDH1A1KDM4EPARP1CA12CA2 | |
| SCHEMBL9701867 | 0.71 | CA2 (0.37) | ALDH1A1KDM4ECA12CA2CA9 | |
| SCHEMBL9702172 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CA12CA2CA9CA1 | |
| Hydrochloric Acid SCHEMBL15973684 | 0.69 | PARP1 (0.59) | ALDH1A1KDM4EPARP1CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120764-A | Administering penicillamine and allenylamines to inhibit crosslinking of collagen | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0374440-A2 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-27 | — | — | EP | disclosed |