Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | MMP8 | P22894 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | LAP3 | P28838 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11348789 | 0.80 | ALDH1A1 (0.42) | MMP1CA12MMP2MMP8CA1 | |
| SCHEMBL8132488 | 0.80 | CA12 (0.42) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL2992495 | 0.80 | CA2 (0.42) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL13724570 | 0.79 | MMP1 (0.38) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL2452794 | 0.78 | CA12 (0.41) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL2978531 | 0.78 | SMN1; SMN2 (0.41) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL12011596 | 0.76 | SMN1; SMN2 (0.39) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL11348544 | 0.76 | MMP1 (0.40) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| Phosphoric Acid SCHEMBL28708565 | 0.72 | CA12 (0.44) | MMP1CA12MMP2MMP8SMN1; SMN2 | |
| SCHEMBL12873310 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0214556-B1 | SUBSTITUTED HEXAHYDRO-ARYLQUINOLIZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | MERCK & CO. INC. (US) | 1990-11-22 | — | — | EP | disclosed |