Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29364269 | 0.98 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL48465 | 0.98 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL5837930 | 0.90 | ALDH1A1 (0.33) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL9180441 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL9578834 | 0.84 | — | — | |
| SCHEMBL15256900 | 0.83 | ALDH1A1 (0.32) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL9722894 | 0.82 | NPC1 (0.38) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL8764612 | 0.82 | — | — | |
| SCHEMBL6911477 | 0.80 | ALDH1A1 (0.32) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL8764562 | 0.80 | ALDH1A1 (0.32) | ALDH1A1TP53CYP3A4TSHRTDP1 |
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-0570798-A1 | Use of alkylthio-substituted aromatic diamines as a curing agent for polyisocyanates in coating compositions or jointing compounds | BAYER AG (DE) | 1993-11-24 | — | — | EP | claimed |
| EP-0228190-B1 | RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION | ETHYL CORPORATION (US) | 1991-02-27 | — | — | EP | claimed |