Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL5836130 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11244967 | 0.83 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11244962 | 0.83 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11385770 | 0.83 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11600373 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL5469389 | 0.79 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9601863 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11385774 | 0.79 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9601857 | 0.79 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28913986 | 0.79 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4992421-A | Suppression sex hormone in mammals | ABBOTT LABORATORIES (US) | 1991-02-12 | — | — | US | disclosed |