Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRA | P16234 | 15/20 | 0.84 |
| ▸ | ABL1 | P00519 | 11/20 | 0.84 |
| ▸ | KIT | P10721 | 9/20 | 0.84 |
| ▸ | BCR | P11274 | 8/20 | 0.82 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.82 |
| ▸ | EGFR | P00533 | 2/20 | 0.80 |
| ▸ | PRKCA | P17252 | 1/20 | 0.80 |
| ▸ | KDR | P35968 | 2/20 | 0.75 |
| ▸ | PLK4 | O00444 | 1/20 | 0.74 |
| ▸ | DDX3X | O00571 | 1/20 | 0.74 |
| ▸ | GAK | O14976 | 1/20 | 0.74 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.74 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.74 |
| ▸ | CA12 | O43570 | 1/20 | 0.74 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.74 |
| ▸ | CA2 | P00918 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | ALB | P02768 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL27962634 | 0.93 | PDGFRA (0.81) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL805395 | 0.92 | PDGFRA (0.85) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL27804782 | 0.92 | PDGFRA (0.85) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL25281830 | 0.91 | PDGFRA (1.00) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL14292529 | 0.91 | PDGFRA (0.84) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL723757 | 0.91 | PDGFRA (1.00) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL29628979 | 0.91 | PDGFRA (1.00) | PDGFRAABL1KITBCRPDGFRB | |
| Hydrochloric Acid SCHEMBL4396677 | 0.90 | PDGFRA (0.98) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL3065290 | 0.90 | PDGFRA (0.89) | PDGFRAABL1KITBCRPDGFRB | |
| SCHEMBL9820 | 0.90 | PDGFRA (1.00) | PDGFRAABL1KITBCRPDGFRB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240257921-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | STANFORD RES INST INT (US) | 2024-08-01 | — | — | US | disclosed |
| US-11961595-B2 | Computational generation of chemical synthesis routes and methods | SRI INTERNATIONAL (US) | 2024-04-16 | — | — | US | disclosed |
| US-20210065851-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | SRI INTERNATIONAL | 2021-03-04 | — | — | US | disclosed |
| CN-112272764-A | Computational generation of chemical synthetic routes and methods | 斯坦福国际研究院 | 2021-01-26 | — | — | CN | disclosed |
| EP-3746772-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | Madrid, Peter (US) | 2020-12-09 | — | — | EP | disclosed |
| WO-2019156872-A9 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | MADRID PETER (US) | 2019-10-03 | — | — | WO | disclosed |
| WO-2019156872-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | MADRID PETER (US) | 2019-08-15 | — | — | WO | disclosed |