Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3657984 | 0.80 | CA1 (0.45) | CA2CA1CA9CA12CA5A | |
| SCHEMBL8664606 | 0.80 | LMNA (0.42) | CA2CA9CA5ATDP1TSHR | |
| SCHEMBL20444776 | 0.78 | CA1 (0.40) | CA2CA1CA9CA12CA5A | |
| SCHEMBL18072246 | 0.78 | CA1 (0.40) | CA2CA1CA9CA12CA5A | |
| SCHEMBL2709816 | 0.78 | LOXL2 (0.34) | CA2TDP1LOXL2TSHRMTNR1A | |
| SCHEMBL3993947 | 0.78 | CA1 (0.40) | CA2CA1CA9CA12CA5A | |
| SCHEMBL3993954 | 0.78 | KDM4E (0.48) | CA2CA1CA9CA12CA5A | |
| SCHEMBL7772010 | 0.76 | CA1 (0.50) | CA2CA1CA9CA12CA5A | |
| SCHEMBL2165483 | 0.76 | EPHX1 (0.47) | CA2 | |
| SCHEMBL20942602 | 0.75 | MEN1 (0.54) | CA2CA1CA9CA12CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3795568-A1 | FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | Pharmakea, Inc. (US) | 2021-03-24 | — | — | EP | disclosed |
| EP-3265456-B1 | FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | PHARMAKEA INC (US) | 2020-11-18 | — | — | EP | disclosed |
| WO-2012020749-A1 | TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |