Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086770 | 0.81 | TP53 (0.40) | TAAR1CALM1CYP2D6LTA4HRAB9A | |
| SCHEMBL8093000 | 0.81 | SIGMAR1 (0.35) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| SCHEMBL8086710 | 0.79 | CALM1 (0.35) | SIGMAR1TAAR1CALM1ALDH1A1LTA4H | |
| SCHEMBL8088069 | 0.74 | TAAR1 (0.37) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| SCHEMBL8090979 | 0.72 | CALM1 (0.42) | MAOACALM1ALDH1A1LTA4H | |
| SCHEMBL6546976 | 0.67 | CALM1 (0.57) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| Isobutylbenzene SCHEMBL7493657 | 0.65 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| Isobutylbenzene SCHEMBL2571645 | 0.65 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| Isobutylbenzene SCHEMBL57393 | 0.65 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4 | |
| SCHEMBL8086782 | 0.65 | — | — |
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-6046346-A | Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0926150-A2 | Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | Honshu Chemical Industry Co. Ltd. (JP) | 1999-06-30 | — | — | EP | disclosed |