Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | CPA1 | P15085 | 2/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7496903 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CA2CA1MMEACE | |
| SCHEMBL7496898 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CA2CA1MMEACE | |
| SCHEMBL7499567 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CA2CA1MMEACE | |
| SCHEMBL7498163 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CA2CA1MMEACE | |
| SCHEMBL27439154 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CA2CA1MMEACE | |
| SCHEMBL27583117 | 0.74 | GCLC (0.31) | ALDH1A1CA2L3MBTL1 | |
| SCHEMBL8373924 | 0.73 | — | — | |
| SCHEMBL15132210 | 0.73 | — | — | |
| SCHEMBL17723289 | 0.73 | — | — | |
| SCHEMBL23856091 | 0.72 | TP53 (0.36) | ALDH1A1CA2CA1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |