Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL16468652 | 0.75 | CA2 (0.44) | CA2CA1CA12CA7CA9 | |
| SCHEMBL16105773 | 0.74 | CES2 (0.39) | CA2CA1CA12CA7CA13 | |
| SCHEMBL17791528 | 0.72 | PTGS2 (0.38) | CES2CES1MAOBRIPK1 | |
| SCHEMBL3297047 | 0.71 | DAO (0.40) | CA2CA1CA12CES2CES1 | |
| SCHEMBL28156148 | 0.70 | CES2 (0.39) | CA2CA1CA12CA7CA13 | |
| SCHEMBL28156228 | 0.68 | CES2 (0.33) | CES2CES1MAOBRIPK1 | |
| SCHEMBL20969587 | 0.67 | TAAR1 (0.50) | MAOB | |
| SCHEMBL7494847 | 0.67 | CES2 (0.36) | CES2CES1MAOBRIPK1 | |
| SCHEMBL14495267 | 0.67 | CA2 (0.77) | CA2CA1CA12CA7CA13 | |
| SCHEMBL1240699 | 0.66 | TDP1 (0.40) | CA2CA1CA12CA7CES2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007065032-A2 | COMPOUNDS AND METHODS FOR INHIBITING VIRAL ENTRY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-06-07 | — | — | WO | disclosed |
| WO-2007065032-A2 | COMPOUNDS AND METHODS FOR INHIBITING VIRAL ENTRY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-06-07 | — | — | WO | disclosed |