Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | TACR2 | P21452 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | SHBG | P04278 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TST | Q16762 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365405 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL27854859 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL28530049 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL366671 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8166445 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8802114 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11674765 | 0.98 | ALDH1A1 (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11625770 | 0.97 | ALDH1A1 (0.55) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11445566 | 0.97 | ALDH1A1 (0.55) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL163338 | 0.96 | ALDH1A1 (0.53) | ALDH1A1ESR1ADRA2AADORA3TACR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417325-B1 | PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES | MITSUI CHEMICALS INC (JP) | 2001-07-11 | — | — | EP | claimed |
| US-5169971-A | Hydrocyanation; zero-valent nickel complex catalyst and a lewis acid; efficient; high selectivity | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-12-08 | — | — | US | claimed |
| EP-0417325-A1 | PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-03-20 | — | — | EP | claimed |
| EP-0438638-B1 | Process for producing norcamphane dicarbonitriles | MITSUI CHEMICALS INC (JP) | 2000-07-05 | — | — | EP | disclosed |
| US-5087722-A | Catalytic hydrocyanation of bicyclo(2.2.1)-5-heptene-2-carbonitrile | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-02-11 | — | — | US | disclosed |