Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6008417 | 0.87 | ALDH1A1 (0.50) | HCAR2ALDH1A1LMNAESR1TSHR | |
| SCHEMBL6007679 | 0.87 | ALDH1A1 (0.50) | HCAR2ALDH1A1LMNAESR1TSHR | |
| SCHEMBL577735 | 0.84 | LMNA (0.42) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL8861415 | 0.82 | HSD17B10 (0.38) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL27832068 | 0.82 | HCAR2 (0.38) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL5149840 | 0.81 | — | — | |
| SCHEMBL4736464 | 0.80 | HCAR2 (0.36) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL2984925 | 0.80 | HCAR2 (0.36) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL2689929 | 0.80 | HCAR2 (0.36) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL4439901 | 0.80 | HCAR2 (0.36) | HCAR2ALDH1A1LMNAESR1CHRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0939757-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | Dupont Pharmaceuticals Company (US) | 1999-09-08 | — | — | EP | claimed |
| WO-1997023480-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | claimed |
| US-6322770-B1 | FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE | DUPONT PHARMACEUTICALS COMPANY | 2001-11-27 | — | — | US | disclosed |
| EP-0939757-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | Dupont Pharmaceuticals Company (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1997048444-A1 | IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS | BECTON DICKINSON AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |
| WO-1997023480-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |