Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.70 |
| ▸ | CA2 | P00918 | 6/20 | 0.70 |
| ▸ | CA12 | O43570 | 5/20 | 0.70 |
| ▸ | CA9 | Q16790 | 5/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | VCP | P55072 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19065049 | 0.88 | CA1 (0.70) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL517119 | 0.84 | CYP19A1 (0.56) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL27915152 | 0.84 | CYP19A1 (0.56) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL4147377 | 0.84 | CYP19A1 (0.56) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL516961 | 0.84 | NPC1 (0.59) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL29132395 | 0.83 | CYP19A1 (0.55) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL4158621 | 0.76 | CA12 (0.51) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL12124985 | 0.75 | NPC1 (0.75) | CYP19A1NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL1465037 | 0.75 | NPC1 (0.64) | CA1CA2CA12CA9CYP19A1 | |
| SCHEMBL31548558 | 0.75 | NPC1 (0.64) | CA1CA2CA12CA9CYP19A1 |
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-2598486-B1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | NOVARTIS AG (CH) | 2017-06-28 | — | — | EP | disclosed |
| WO-2012013716-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | NOVARTIS AG (CH) | 2012-02-02 | — | — | WO | disclosed |