Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 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 | |
|---|---|---|---|---|
| SCHEMBL169186 | 0.92 | P2RX3 (0.34) | DHFRP2RX3P2RX2 | |
| SCHEMBL166973 | 0.85 | DHFR (0.37) | DHFR | |
| SCHEMBL167931 | 0.84 | P2RX3 (0.31) | P2RX3P2RX2 | |
| SCHEMBL7555970 | 0.79 | DHFR (0.41) | DHFRP2RX3P2RX2 | |
| SCHEMBL166081 | 0.77 | DHFR (0.35) | DHFR | |
| SCHEMBL101727 | 0.76 | DHFR (0.41) | DHFRP2RX3P2RX2 | |
| SCHEMBL166574 | 0.76 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL15287283 | 0.74 | DHFR (0.40) | DHFRP2RX3P2RX2 | |
| SCHEMBL165193 | 0.74 | ALDH1A1 (0.36) | P2RX3P2RX2 | |
| SCHEMBL166582 | 0.73 | — | — |
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-2638088-A1 | HALOGENATION OF 4,4'-METHYLENE-BIS-ANILINES | Lonza Ltd (CH) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012028323-A1 | HALOGENATION OF 4,4'-METHYLENE-BIS-ANILINES | LONZA LTD (CH) | 2012-03-08 | — | — | WO | disclosed |