Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.60 |
| ▸ | CA9 | Q16790 | 11/20 | 0.60 |
| ▸ | CA12 | O43570 | 7/20 | 0.60 |
| ▸ | CA1 | P00915 | 10/20 | 0.52 |
| ▸ | CA6 | P23280 | 4/20 | 0.52 |
| ▸ | CA5A | P35218 | 4/20 | 0.52 |
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2468180 | 0.80 | CA2 (0.58) | CA2CA9CA12CA1CA6 | |
| SCHEMBL6342072 | 0.80 | CA2 (0.58) | CA2CA9CA12CA1CA6 | |
| SCHEMBL291455 | 0.80 | CA2 (0.58) | CA2CA9CA12CA1CA6 | |
| SCHEMBL29961798 | 0.80 | CA2 (0.58) | CA2CA9CA12CA1CA6 | |
| SCHEMBL15166880 | 0.77 | ALDH1A1 (0.41) | CA2CA9CA12CA1CA6 | |
| SCHEMBL5995711 | 0.77 | ELANE (0.45) | CA2CA9CA12CA1CA6 | |
| SCHEMBL998537 | 0.77 | MYC (0.41) | CA2CA9CA12CDK2GAA | |
| SCHEMBL536000 | 0.77 | PTGS2 (0.42) | CA2CA9CA12GAAALDH1A1 | |
| SCHEMBL202947 | 0.77 | CA2 (0.70) | CA2CA9CA12CA1CA6 | |
| SCHEMBL9586213 | 0.77 | CA2 (0.65) | CA2CA9CA12CA1CA6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | claimed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | claimed |
| EP-1740574-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | Otsuka Pharmaceutical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105778-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-10 | — | — | WO | disclosed |
| EP-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |
| WO-1998045231-A1 | SUPPORTS FOR SOLID PHASE SYNTHESIS | CADUS PHARMACEUTICAL CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |
| US-4256752-A | ANTIHISTAMINES, ANTISECRETORY AGENTS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1981-03-17 | — | — | US | disclosed |