Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153360 | 0.75 | OXTR (0.34) | ALDH1A1KDM4EOXTRMTNR1AMTNR1B | |
| SCHEMBL20153715 | 0.74 | ITGAV (0.39) | ITGB3ITGAV | |
| SCHEMBL20153717 | 0.74 | FGFR4 (0.36) | ITGB3ITGAV | |
| SCHEMBL7018373 | 0.71 | NNMT (0.42) | ALDH1A1KDM4EOXTRMTNR1AMTNR1B | |
| SCHEMBL13829314 | 0.71 | NNMT (0.42) | ALDH1A1KDM4EOXTRMTNR1AMTNR1B | |
| SCHEMBL23348634 | 0.70 | KDM4E (0.45) | ALDH1A1KDM4ESCN9ASCN10AHPGD | |
| SCHEMBL30188562 | 0.70 | KDM4E (0.45) | ALDH1A1KDM4ESCN9ASCN10AHPGD | |
| SCHEMBL21282967 | 0.67 | ITGB3 (0.35) | ITGB3ITGAV | |
| SCHEMBL21311735 | 0.67 | ITGB3 (0.38) | ITGB3ITGAV | |
| SCHEMBL13829144 | 0.66 | KMT2A (0.41) | ALDH1A1ITGB3ITGAVPOLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538519-B1 | INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-07-28 | — | — | EP | disclosed |
| WO-2018089357-A1 | INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |