Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | ADH1B | P00325 | 1/20 | 0.48 |
| ▸ | ADH1C | P00326 | 1/20 | 0.48 |
| ▸ | ADH1A | P07327 | 1/20 | 0.48 |
| ▸ | ADH7 | P40394 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL10666305 | 0.88 | ALDH1A1 (0.64) | ALDH1A1CYP2A6ADH1BADH1CADH1A | |
| SCHEMBL6207304 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP2A6SMN1; SMN2HDAC3HDAC1 | |
| Benzaldehyde SCHEMBL316996 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP2A6MEN1KMT2ATDP1 | |
| Benzene SCHEMBL7471176 | 0.85 | MEN1 (0.64) | ADH1BADH1CADH1AADH7MEN1 | |
| SCHEMBL2146 | 0.85 | MEN1 (0.64) | ADH1BADH1CADH1AADH7MEN1 | |
| Ammonia Solution, Strong SCHEMBL3582415 | 0.83 | MEN1 (0.61) | ADH1BADH1CADH1AADH7MEN1 | |
| SCHEMBL10813092 | 0.83 | MEN1 (0.61) | ADH1BADH1CADH1AADH7MEN1 | |
| Iodide SCHEMBL17241299 | 0.83 | MEN1 (0.61) | ADH1BADH1CADH1AADH7MEN1 | |
| SCHEMBL21065761 | 0.83 | MEN1 (0.61) | ADH1BADH1CADH1AADH7MEN1 | |
| Hydrochloric Acid SCHEMBL1551607 | 0.83 | MEN1 (0.61) | ADH1BADH1CADH1AADH7MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708305-B2 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives for the treatment of hormone-dependent diseases | UNIVERSITé LAVAL (CA) | 2017-07-18 | — | — | US | disclosed |
| US-20160200685-A1 | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | UNIVERSITé LAVAL (CA) | 2016-07-14 | — | — | US | disclosed |
| WO-2015024111-A1 | COMPOUNDS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | UNIVERSITE LAVAL (CA) | 2015-02-26 | — | — | WO | disclosed |
| US-7014968-B2 | Organophotoreceptor with charge transport material having a thiiranyl group | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2006-03-21 | — | — | US | disclosed |
| US-20050147904-A1 | Organophotoreceptor with charge transport material having a thiiranyl group | S-PRINTING SOLUTION CO., LTD. (KR) | 2005-07-07 | — | — | US | disclosed |
| EP-1550913-A1 | Organophotoreceptor with charge transport material having a thiiranyl group | Samsung Electronics Co., Ltd. (KR) | 2005-07-06 | — | — | EP | 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-20050147904-A1 | Organophotoreceptor with charge transport material having a thiiranyl group | NR2E3, NR2C2, SLC18A2 | ALDH1A1 1608/4885CYP2A6 1744/4885ADH1B 393/4885 |
| US-20160200685-A1 | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | STS, SHBG, CYP19A1 | ALDH1A1 1010/4885CYP2A6 29/4885ADH1B 330/4885 |
“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.