Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | MMP7 | P09237 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25619887 | 0.66 | CA1 (0.47) | KMT2AKDM1ACA12CA1CA2 | |
| SCHEMBL24916671 | 0.66 | GAA (0.40) | KMT2AMAOBKDM4EALDH1A1LMNA | |
| SCHEMBL4613144 | 0.66 | CYP19A1 (0.58) | KMT2AKDM1ACA12CA1CA2 | |
| SCHEMBL1332778 | 0.64 | CA2 (0.57) | KDM1ACA12CA1CA2CA9 | |
| SCHEMBL14861269 | 0.64 | CYP19A1 (0.51) | KMT2AKDM1ACA12CA1CA2 | |
| SCHEMBL9628592 | 0.63 | CA2 (0.52) | KDM1ACA12CA1CA2CA9 | |
| SCHEMBL1894004 | 0.63 | CA2 (0.55) | KDM1ACA12CA1CA2CA9 | |
| SCHEMBL803901 | 0.63 | PTGS2 (0.68) | KDM1ACA12CA1CA2CA9 | |
| SCHEMBL8333376 | 0.62 | CA1 (0.50) | KMT2AKDM1ACA12CA1CA2 | |
| SCHEMBL2495472 | 0.62 | CYP19A1 (0.58) | KDM1ACA12CA1CA2CA9 |
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-2006134341-A1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |