Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18619385 | 0.82 | CA14 (0.40) | CA14CTSKEPHX2CA12CA1 | |
| SCHEMBL2080815 | 0.82 | HDAC6 (0.33) | CA14CA12CA1CA7HDAC1 | |
| SCHEMBL15082324 | 0.81 | EPHX2 (0.36) | CA14EPHX2CA12CA1CA7 | |
| SCHEMBL10242219 | 0.81 | EPHX2 (0.36) | CA14EPHX2CA12CA1CA7 | |
| SCHEMBL21280312 | 0.81 | CTSK (0.37) | CA14CTSKEPHX2CA12CA1 | |
| SCHEMBL23107133 | 0.81 | CTSK (0.34) | CA14CTSKCA12CA1CA7 | |
| SCHEMBL30500335 | 0.80 | CTSK (0.38) | CA14CTSKEPHX2CA12CA1 | |
| SCHEMBL8811792 | 0.79 | EPHX2 (0.35) | CA14CTSKEPHX2CA12CA1 | |
| SCHEMBL12258766 | 0.78 | CA14 (0.38) | CA14EPHX2CA12CA1CA7 | |
| SCHEMBL20248816 | 0.78 | CTSK (0.35) | CA14CTSKCA12CA1CA7 |
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-2018089355-A1 | CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |