Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL19033247 | 0.92 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL22019966 | 0.88 | TSHR (0.46) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL12478812 | 0.87 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL22744845 | 0.85 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL24347570 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4TDP1LMNA | |
| SCHEMBL27383605 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4TDP1LMNA | |
| SCHEMBL21410771 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL19956032 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL23131709 | 0.83 | TSHR (0.59) | ALDH1A1TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL24673319 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4TDP1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3733899-A1 | LOW ALLOY HIGH STRENGTH SEAMLESS STEEL PIPE FOR OIL WELLS | JFE Steel Corporation (JP) | 2020-11-04 | — | — | EP | disclosed |