Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PPID | Q08752 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9400007 | 0.85 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9AMETAP2ALDH1A1 | |
| SCHEMBL4416410 | 0.83 | MMP8 (0.54) | SMN1; SMN2ALDH1A1POLBMMP8RECQL | |
| SCHEMBL4098649 | 0.80 | MMP8 (0.57) | SMN1; SMN2NPC1RAB9AMETAP2ALDH1A1 | |
| SCHEMBL9204947 | 0.79 | MMP8 (0.49) | SMN1; SMN2NPC1RAB9AMETAP2ALDH1A1 | |
| SCHEMBL8233844 | 0.78 | MMP8 (0.55) | SMN1; SMN2NPC1RAB9AMETAP2ALDH1A1 | |
| SCHEMBL13696279 | 0.74 | MMP8 (0.44) | SMN1; SMN2NPC1RAB9AMETAP2ALDH1A1 | |
| SCHEMBL234014 | 0.74 | MMP8 (0.56) | SMN1; SMN2ALDH1A1CYP2C9CYP1A2MMP8 | |
| SCHEMBL21247201 | 0.73 | MMP8 (0.56) | SMN1; SMN2ALDH1A1POLBMMP8RECQL | |
| SCHEMBL4419400 | 0.73 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1POLBMMP8RECQL | |
| SCHEMBL10910930 | 0.73 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1POLBCYP2C9CYP1A2 |
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-4985582-A | CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0216625-A2 | Pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-01 | — | — | EP | disclosed |