Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 10/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | PRCP | P42785 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7164271 | 0.97 | CHRM2 (0.54) | CHRM2CHRM1ALDH1A1CYP3A4LMNA | |
| SCHEMBL28838197 | 0.77 | AKR1C1 (0.45) | CYP2D6KDM4ESLC6A2OPRM1SLC6A3 | |
| SCHEMBL7629979 | 0.76 | SLC6A2 (0.38) | CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL8112597 | 0.76 | SLC6A2 (0.43) | LMNACYP2D6SIGMAR1HTTSLC6A2 | |
| SCHEMBL18261095 | 0.74 | PRCP (0.48) | CHRM2CHRM1ALDH1A1CYP3A4LMNA | |
| SCHEMBL6660824 | 0.73 | SLC6A2 (0.43) | LMNACYP2D6KDM4EHTTSLC6A2 | |
| SCHEMBL11217551 | 0.73 | CHRM2 (0.37) | CHRM2CHRM1SIGMAR1TMEM97 | |
| SCHEMBL4661013 | 0.72 | SLC6A2 (0.44) | LMNACYP2D6SIGMAR1HTTSLC6A2 | |
| Carbetapentane SCHEMBL15516338 | 0.71 | CHRM2 (1.00) | CHRM2CHRM1ALDH1A1CYP3A4LMNA | |
| Carbetapentane SCHEMBL67879 | 0.71 | CHRM2 (1.00) | CHRM2CHRM1ALDH1A1CYP3A4LMNA |
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-5331010-A | TREATING MAMMALS FOR CONVULSIONS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1994-07-19 | — | — | US | claimed |
| US-5331010-A | TREATING MAMMALS FOR CONVULSIONS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1994-07-19 | — | — | US | disclosed |