Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 13/20 | 0.46 |
| ▸ | BCHE | P06276 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL6711210 | 0.88 | ESR1 (0.49) | CYP2D6TSHRNPC1 | |
| SCHEMBL2479131 | 0.81 | PKM (0.46) | CYP2D6CYP1A2NPC1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL6710202 | 0.78 | ESR1 (0.45) | KDM4ECYP3A4NPC1MAPT | |
| SCHEMBL8528744 | 0.76 | ESR1 (0.41) | ALDH1A1NPC1SMN1; SMN2TDP1 | |
| SCHEMBL8529936 | 0.75 | MPO (0.51) | BCHEMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6710240 | 0.75 | ESR1 (0.40) | ALDH1A1NPC1SMN1; SMN2TDP1 | |
| SCHEMBL5695121 | 0.75 | ALDH1A1 (0.79) | KDM4EALDH1A1CYP3A4CYP2D6CHRM2 | |
| Hydrochloric Acid SCHEMBL7703819 | 0.74 | MPO (0.50) | CYP3A4CYP2D6CYP2C19BCHEPOLB | |
| Hydrochloric Acid SCHEMBL6758050 | 0.74 | HTT (0.52) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6711049 | 0.73 | ESR1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040229910-A1 | Therapeutic compounds | N.V. ORGANON (NL) | 2004-11-18 | — | — | US | disclosed |
| EP-0898566-B1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL NV (NL) | 2002-11-06 | — | — | EP | disclosed |
| US-20020037885-A1 | Therapeutic compounds | DIJCKS FREDERICUS ANTONIUS (NL) | 2002-03-28 | — | — | US | disclosed |
| US-6313139-B1 | ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS | AKZO NOBEL N. V. (NL) | 2001-11-06 | — | — | US | disclosed |
| US-6080773-A | USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS | AKZO NOBEL, N.V. (NL) | 2000-06-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040229910-A1 | Therapeutic compounds | BDNF, PNMT, SLC18A2 | KDM4E 1272/4885ALDH1A1 964/4885CYP3A4 1294/4885 |
| US-20020037885-A1 | Therapeutic compounds | BDNF, PNMT, SLC18A2 | KDM4E 1272/4885ALDH1A1 964/4885CYP3A4 1294/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.