Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 19/20 | 0.82 |
| ▸ | BCR | P11274 | 17/20 | 0.82 |
| ▸ | PDGFRA | P16234 | 8/20 | 0.82 |
| ▸ | PDGFRB | P09619 | 7/20 | 0.82 |
| ▸ | SRC | P12931 | 6/20 | 0.82 |
| ▸ | SYK | P43405 | 2/20 | 0.82 |
| ▸ | KIT | P10721 | 7/20 | 0.80 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.80 |
| ▸ | PRKCA | P17252 | 4/20 | 0.67 |
| ▸ | ABL2 | P42684 | 4/20 | 0.67 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.67 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.67 |
| ▸ | PRKCG | P05129 | 1/20 | 0.67 |
| ▸ | PRKCB | P05771 | 1/20 | 0.67 |
| ▸ | PRKCH | P24723 | 1/20 | 0.67 |
| ▸ | PRKCI | P41743 | 1/20 | 0.67 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.67 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.67 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.67 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL3858318 | 0.92 | ABL1 (0.84) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL26358567 | 0.90 | ABL1 (0.85) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL9485 | 0.90 | ABL1 (1.00) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL19586397 | 0.89 | ABL1 (0.89) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL29410182 | 0.89 | ABL1 (1.00) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL846536 | 0.89 | ABL1 (1.00) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL3864378 | 0.88 | ABL1 (0.81) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL8261009 | 0.87 | ABL1 (0.94) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL3866664 | 0.87 | ABL1 (0.94) | ABL1BCRPDGFRAPDGFRBSRC | |
| SCHEMBL3264382 | 0.87 | ABL1 (0.90) | ABL1BCRPDGFRAPDGFRBSRC |
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 |
|---|---|---|---|---|---|---|---|
| US-7826979-B2 | Method of modeling complex formation between a query ligan and a target molecule | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-02 | — | — | US | disclosed |
| US-7826979-B2 | Method of modeling complex formation between a query ligan and a target molecule | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-02 | — | — | US | disclosed |