Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27613831 | 0.80 | CYP2D6 (0.33) | CA2CA1CA7CYP2D6 | |
| SCHEMBL27904017 | 0.77 | CA1 (0.34) | CA2CA1CA7CYP2D6 | |
| SCHEMBL27957672 | 0.77 | CA1 (0.34) | CA2CA1CA7CYP2D6 | |
| SCHEMBL27613836 | 0.77 | MAOA (0.36) | CA2CA1CA7CYP2D6 | |
| SCHEMBL21385406 | 0.76 | TSHR (0.48) | CA12CA14CA2CA7CA9 | |
| SCHEMBL27694092 | 0.76 | CA1 (0.38) | CA12CA14CA2CA1CA7 | |
| SCHEMBL27713999 | 0.76 | CA1 (0.38) | CA12CA14CA2CA1CA7 | |
| SCHEMBL27704747 | 0.74 | KMT2A (0.40) | — | |
| SCHEMBL20593365 | 0.73 | TSHR (0.45) | CA12CA14CA7CA9TSHR | |
| SCHEMBL20593368 | 0.73 | TSHR (0.45) | CA12CA14CA7CA9TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104031054-A | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARM INC | 2014-09-10 | — | — | CN | disclosed |
| CN-1585772-B | chemokine receptor antagonists and methods and uses thereof | MILLENNIUM PHARM INC | 2014-06-04 | — | — | CN | disclosed |
| CN-1911930-A | Chemokine receptor anagonists, methods and use therefor | MILLENNIUM PHARM INC (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1585772-A | Chemokine receptor antagonists and methods and uses thereof | MILLENNIUM PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |