Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9521077 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HTTCNR2TSHRKMT2A | |
| SCHEMBL9491327 | 0.95 | CNR2 (0.41) | ALDH1A1HTTCNR2TSHRITGA4 | |
| SCHEMBL9490471 | 0.95 | CNR2 (0.41) | ALDH1A1HTTCNR2TSHRITGA4 | |
| SCHEMBL9520161 | 0.95 | CNR2 (0.41) | ALDH1A1HTTCNR2TSHRITGA4 | |
| SCHEMBL9490368 | 0.95 | CNR2 (0.41) | ALDH1A1HTTCNR2TSHRITGA4 | |
| SCHEMBL9490420 | 0.93 | CYP2D6 (0.36) | ALDH1A1HTTCNR2ITGA4ITGB7 | |
| SCHEMBL9521837 | 0.93 | CYP2D6 (0.36) | ALDH1A1HTTCNR2ITGA4ITGB7 | |
| SCHEMBL9521707 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HTTKMT2AMEN1POLB | |
| SCHEMBL9491119 | 0.91 | CYP2D6 (0.36) | ALDH1A1CNR2KMT2APOLBITGA4 | |
| SCHEMBL9521441 | 0.91 | CYP2D6 (0.36) | ALDH1A1CNR2KMT2APOLBITGA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5246950-A | Smooth muscle disorders | RHONE-POULENC SANTE (FR) | 1993-09-21 | — | — | US | disclosed |
| EP-0390693-B1 | THIOFORMAMIDE DERIVATIVES | RHONE-POULENC SANTE (FR) | 1993-08-25 | — | — | EP | disclosed |
| EP-0390693-A1 | Thioformamide derivatives | RHONE-POULENC SANTE (FR) | 1990-10-03 | — | — | EP | disclosed |