Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6778494 | 0.83 | PTGS2 (0.48) | RXRARXRBPARP10SMN1; SMN2PPARG | |
| Hydrochloric Acid SCHEMBL6776920 | 0.82 | PTGS2 (0.47) | RXRARXRBPARP10SMN1; SMN2PPARG | |
| SCHEMBL6778049 | 0.79 | FABP3 (0.43) | RXRARXRB | |
| Hydrochloric Acid SCHEMBL6378952 | 0.74 | TPMT (0.39) | KMT2AALDH1A1RXRARXRBSMN1; SMN2 | |
| SCHEMBL7356667 | 0.74 | SLC1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6378948 | 0.74 | TPMT (0.39) | KMT2AALDH1A1RXRARXRBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6779507 | 0.73 | TPMT (0.38) | KMT2ARXRARXRB | |
| SCHEMBL6780474 | 0.72 | TTR (0.43) | ALDH1A1PPARG | |
| SCHEMBL6779107 | 0.72 | TTR (0.43) | KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL2298439 | 0.72 | DPP4 (0.48) | KMT2APOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |