Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 3/20 | 0.41 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3002929 | 0.83 | CA12 (0.65) | CA12CA1CA2CA6CA9 | |
| SCHEMBL18079795 | 0.81 | CES2 (0.54) | HDAC1HDAC2GRM5F2MTOR | |
| SCHEMBL3673834 | 0.81 | ATM (0.58) | HDAC1HDAC2GRM5F2MTOR | |
| SCHEMBL29532021 | 0.79 | CA12 (0.58) | CA12CA1CA2CA6CA9 | |
| SCHEMBL40282 | 0.79 | CA12 (0.58) | CA12CA1CA2CA6CA9 | |
| SCHEMBL2163420 | 0.79 | HDAC1 (0.45) | CA12CA1CA2CA6CA9 | |
| SCHEMBL40374 | 0.77 | ALDH1A1 (0.50) | HDAC1HDAC2GRM5F2MTOR | |
| SCHEMBL1259478 | 0.77 | PARP1 (0.59) | HDAC1HDAC2GRM5F2MTOR | |
| SCHEMBL29439753 | 0.77 | ALDH1A1 (0.50) | HDAC1HDAC2GRM5F2MTOR | |
| Methane SCHEMBL14879758 | 0.77 | CA12 (0.56) | CA12CA1CA2CA6CA9 |
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-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |