Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL1989571 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL9292353 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL9814493 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL10793159 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL8713535 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9814556 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9175764 | 0.77 | CHRM2 (0.34) | ALDH1A1 | |
| SCHEMBL5872431 | 0.77 | CHRM2 (0.34) | ALDH1A1 | |
| SCHEMBL9814480 | 0.77 | CHRM2 (0.34) | ALDH1A1 | |
| SCHEMBL9814471 | 0.77 | CHRM2 (0.34) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4166121-A | WITH THE HYDROGENATION PRODUCT OF AN N-NITROSO SUBSTITUTED NITROAMINE | INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) | 1979-08-28 | — | — | US | disclosed |
| US-4148803-A | Nitrosamine reaction products for controlling the growth of bacteria and fungi | INTERNATIONAL MINERALS & CHEMICAL CORP. (US) | 1979-04-10 | — | — | US | disclosed |