Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 9/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21480838 | 1.00 | CA2 (0.35) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL14220437 | 0.93 | CYP2D6 (0.39) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL28969072 | 0.88 | ATM (0.36) | CA2CA1CA7CTSKATM | |
| SCHEMBL28969069 | 0.88 | ATM (0.36) | CA2CA1CA7CTSKATM | |
| SCHEMBL29778323 | 0.86 | CYP2D6 (0.40) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL13633534 | 0.86 | CYP2D6 (0.40) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL25658173 | 0.86 | CA1 (0.42) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL24629628 | 0.85 | CTSK (0.36) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL27696913 | 0.85 | CTSK (0.43) | CA2CA1CA7CTSKCTSS | |
| SCHEMBL14496983 | 0.85 | CTSK (0.37) | CA2CA1CA7CTSKCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103351389-A | Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith | SIGNAL PHARM LLC | 2013-10-16 | — | — | CN | disclosed |
| CN-101478972-A | Haloaryl substituted aminopurines, compositions thereof, and methods of using same in therapy | SIGNAL PHARM LLC (US) | 2009-07-08 | — | — | CN | disclosed |