Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27529113 | 0.78 | CA1 (0.55) | CA9SMN1; SMN2ALDH1A1CA2CA1 | |
| SCHEMBL7215570 | 0.77 | CA1 (0.52) | KDM4ESMN1; SMN2ALDH1A1CA2CA1 | |
| SCHEMBL8908871 | 0.73 | KDM4E (0.36) | KDM4ECA9SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL5650925 | 0.71 | ALDH1A1 (0.44) | CA9SMN1; SMN2ALDH1A1CA2CA1 | |
| SCHEMBL10524657 | 0.66 | GAA (0.58) | KDM4ECA9SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL10951327 | 0.64 | LMNA (0.64) | KDM4ECA9SMN1; SMN2ALDH1A1CA2 | |
| SCHEMBL19792284 | 0.64 | GAA (0.55) | KDM4ECA9SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL10617959 | 0.63 | GAA (0.53) | KDM4ECA9SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL10449067 | 0.62 | MMP2 (0.50) | KDM4ECA9SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL10617978 | 0.62 | CA1 (0.55) | KDM4ECA9ALDH1A1CA2CA1 |
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-5600015-A | USING RUTHENIUM COMPLEX OF OPTICALLY ACTIVE ATROPISOMERIC DIPHOSPHINE LIGAND AS HYDROGENATION CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1997-02-04 | — | — | US | claimed |
| US-5600015-A | USING RUTHENIUM COMPLEX OF OPTICALLY ACTIVE ATROPISOMERIC DIPHOSPHINE LIGAND AS HYDROGENATION CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1997-02-04 | — | — | US | disclosed |