Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL171357 | 0.82 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL29443967 | 0.78 | CYP3A4 (0.43) | ALDH1A1ALOX15SMN1; SMN2TSHRTDP1 | |
| SCHEMBL43944 | 0.78 | CYP3A4 (0.43) | ALDH1A1ALOX15SMN1; SMN2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL29995179 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL9834388 | 0.76 | CYP3A4 (0.42) | ALDH1A1ALOX15SMN1; SMN2TDP1CYP3A4 | |
| SCHEMBL455471 | 0.75 | MAPT (0.40) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL6024142 | 0.74 | CYP3A4 (0.39) | ALDH1A1KDM4EHPGDTSHRTDP1 | |
| Dimethylamine SCHEMBL11264463 | 0.73 | SIGMAR1 (0.39) | ALDH1A1ALOX15SMN1; SMN2TDP1CYP3A4 | |
| SCHEMBL31661348 | 0.72 | CYP3A4 (0.62) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL6866139 | 0.72 | CYP3A4 (0.62) | ALDH1A1KDM4EMAPTHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0710257-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL CO (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003346-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL COMPANY (US) | 1995-02-02 | — | — | WO | disclosed |