Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.63 |
| ▸ | CA2 | P00918 | 9/20 | 0.63 |
| ▸ | CA12 | O43570 | 8/20 | 0.63 |
| ▸ | CA9 | Q16790 | 8/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.52 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.52 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768517 | 1.00 | CA1 (0.63) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL2235887 | 0.88 | ALDH1A1 (0.54) | CA1CA2CA12CA9SLC1A3 | |
| SCHEMBL13585322 | 0.88 | ALDH1A1 (0.54) | CA1CA2CA12CA9SLC1A3 | |
| SCHEMBL8023841 | 0.87 | GBA1 (0.55) | CA2CA12CA9SLC1A3SLC1A2 | |
| Hydrochloric Acid SCHEMBL8567005 | 0.85 | GBA1 (0.54) | CA2CA12CA9SLC1A3SLC1A2 | |
| SCHEMBL27503320 | 0.85 | TPSAB1 (0.48) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL1768631 | 0.84 | SLC1A3 (0.55) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL27888805 | 0.84 | SLC1A3 (0.55) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL1769522 | 0.83 | CA9 (0.46) | CA1CA2CA12CA9MMP2 | |
| SCHEMBL29814701 | 0.83 | SLC1A3 (0.56) | CA1CA2CA12CA9SLC1A3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712676-B | There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing | 波利弗尔股份公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-102844327-B | Template-fixed peptidomimetics with CXCR7 modulatory activity | 波利弗尔股份公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-102844327-A | Template-fixed peptidomimetics with CXCR7 modulatory activity | POLYPHOR AG | 2012-12-26 | — | — | CN | disclosed |
| EP-2531520-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY | Polyphor AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| CN-102712676-A | Template-fixed peptidomimetics with CCR10 antagonistic activty | POLYPHOR AG | 2012-10-03 | — | — | CN | disclosed |
| WO-2011095607-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY | POLYPHOR AG (CH) | 2011-08-11 | — | — | WO | disclosed |