Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 3/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | MC4R | P32245 | 3/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128898 | 0.93 | CAPN1 (0.39) | BCL2BCL2L1MCL1CAPN1CTSB | |
| SCHEMBL8143718 | 0.91 | P2RX3 (0.35) | ITGB1CAPN1CTSBP2RX3 | |
| SCHEMBL8125473 | 0.90 | CCR3 (0.38) | BCL2BCL2L1MCL1CAPN1CTSB | |
| SCHEMBL8134169 | 0.90 | P2RX3 (0.35) | BCL2CAPN1CTSBP2RX3 | |
| SCHEMBL8133580 | 0.90 | FNTA (0.37) | — | |
| SCHEMBL8141784 | 0.87 | CAPN1 (0.36) | ITGB1ITGA4ITGB7CAPN1CTSB | |
| SCHEMBL8135109 | 0.85 | P2RX3 (0.34) | P2RX3KCNA5 | |
| SCHEMBL8134680 | 0.85 | FNTA (0.37) | ITGB1ITGA4ITGB7 | |
| SCHEMBL8134674 | 0.85 | FNTA (0.37) | ITGB1ITGA4ITGB7 | |
| SCHEMBL8140831 | 0.84 | — | — |
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-1054882-A1 | CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999041248-A1 | CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA S.A. (FR) | 1999-08-19 | — | — | WO | disclosed |