Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 9/20 | 0.64 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.64 |
| ▸ | TACR1 | P25103 | 2/20 | 0.61 |
| ▸ | CTSL | P07711 | 1/20 | 0.60 |
| ▸ | CTSB | P07858 | 1/20 | 0.60 |
| ▸ | CTSS | P25774 | 1/20 | 0.60 |
| ▸ | CTSK | P43235 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.57 |
| ▸ | MME | P08473 | 1/20 | 0.57 |
| ▸ | ECE1 | P42892 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399084 | 1.00 | ITGB3 (0.64) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL479010 | 0.93 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL26661077 | 0.93 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL7372270 | 0.93 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL220648 | 0.93 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL219151 | 0.93 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL10507966 | 0.90 | ECE1 (0.65) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL5401365 | 0.90 | ITGB3 (0.65) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL1702159 | 0.90 | ECE1 (0.65) | ITGB3ITGA2BTACR1CTSLCTSB | |
| SCHEMBL5391083 | 0.90 | ITGB3 (0.65) | ITGB3ITGA2BTACR1CTSLCTSB |
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-2011106898-A1 | METHODS AND SYSTEMS FOR PREPARING IRREVERSIBLE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2011-09-09 | — | — | WO | disclosed |
| WO-1992014706-A1 | CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS | PFIZER LIMITED (GB) | 1992-09-03 | — | — | WO | disclosed |