Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007545 | 0.83 | MAPT (0.52) | ALDH1A1CA1CA2MAPK1HTT | |
| SCHEMBL3953416 | 0.77 | ESR1 (0.52) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL31497684 | 0.77 | ESR1 (0.52) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL15784485 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL807575 | 0.77 | TSHR (0.55) | ALDH1A1CA1CA2CA9ALOX15 | |
| SCHEMBL5080121 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL5758 | 0.77 | TSHR (0.55) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL28541581 | 0.75 | ALDH1A1 (0.59) | CYP2A6ALDH1A1CA1CA2CA5A | |
| SCHEMBL3918056 | 0.74 | TSHR (0.60) | ALDH1A1CA1CA2CA5ACA9 | |
| SCHEMBL3202679 | 0.74 | TSHR (0.52) | CYP2A6ALDH1A1CA1CA2CA5A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594857-B1 | METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 1998-04-29 | — | — | EP | disclosed |
| US-5527940-A | SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS | TORAY INDUSTRIES, INC. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0594857-A1 | METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1994-05-04 | — | — | EP | disclosed |
| US-4000269-A | ACARICIDES | AMERICAN CYANAMID COMPANY (US) | 1976-12-28 | — | — | US | disclosed |