Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | OXTR | P30559 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407681 | 0.91 | CYP2C19 (0.56) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL29040725 | 0.80 | PKM (0.58) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL21519710 | 0.79 | CYP2D6 (0.55) | CYP2C19KMT2AALDH1A1POLBTSHR | |
| SCHEMBL21519713 | 0.79 | CYP2D6 (0.55) | CYP2C19KMT2AALDH1A1POLBTSHR | |
| SCHEMBL6518475 | 0.79 | CYP2C19 (0.67) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL16647602 | 0.78 | TRPA1 (0.48) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL17959557 | 0.78 | TRPA1 (0.48) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL7227630 | 0.78 | KMT2A (0.45) | KMT2AMEN1 | |
| SCHEMBL17393698 | 0.78 | CYP2C19 (0.51) | CYP2C19PKMKMT2AGAAALDH1A1 | |
| SCHEMBL17393697 | 0.78 | CYP2C19 (0.51) | CYP2C19PKMKMT2AGAAALDH1A1 |
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-6544976-B1 | Treating disorders characterized by neuronal damage caused by disease or trauma, such as Parkinson's disease, Alzheimer's disease, stroke, multiple sclerosis, amyotrophic lateral sclerosis, diabetic neuropathy and Bell's palsy. | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-04-08 | — | — | US | disclosed |
| WO-2001004091-A1 | NEUROTROPHIC 2-AZETIDINECARBOXYLIC ACID DERIVATIVES, AND RELATED COMPOSITIONS AND METHODS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-01-18 | — | — | WO | disclosed |