Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7527097 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL2826921 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL3680204 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL3674735 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL3676137 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL7523498 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL11043908 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL7523506 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| SCHEMBL7523503 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1GAAALDH1A1CHRNB2 | |
| Carbon Monoxide SCHEMBL11047074 | 0.91 | NPSR1 (0.35) | CYP3A4TDP1GAAALDH1A1CHRNB2 |
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-1182205-A1 | Chiral diphosphines via 2,3 -sigmatropic rearrangement.Application in asymmetric transition metal catalysis | PPG-Sipsy S.C.A. (FR) | 2002-02-27 | — | — | EP | disclosed |