Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11860567 | 0.94 | ALDH1A1 (0.32) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL31039376 | 0.85 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL19832777 | 0.83 | RAPGEF4 (0.32) | TSHR | |
| SCHEMBL7551717 | 0.81 | — | — | |
| SCHEMBL4429433 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TSHRACHETPMT | |
| SCHEMBL15216806 | 0.78 | RAPGEF4 (0.38) | NOS3NOS1 | |
| SCHEMBL271091 | 0.78 | RAPGEF4 (0.38) | NOS3NOS1 | |
| SCHEMBL7354245 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TSHRACHETPMTNOS3 | |
| SCHEMBL599485 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETPMTNOS3 | |
| SCHEMBL5568994 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETPMTNOS3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3962357-A | FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP | ROHM AND HAAS COMPANY (US) | 1976-06-08 | — | — | US | claimed |
| CN-108503579-A | Fentanyl analog and its application | 南京医科大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |
| CN-102203060-B | 3-(benzylamino)-pyrrolidine derivatives and their use as nk-3 receptor antagonists | HOFFMANN LA ROCHE | 2014-09-24 | — | — | CN | disclosed |
| CN-101253164-B | Indole-3-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists | HOFFMANN LA ROCHE | 2012-05-16 | — | — | CN | disclosed |
| EP-2406265-A2 | SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-01-18 | — | — | EP | disclosed |
| CN-102203060-A | 3-(benzylamino)-pyrrolidine derivatives and their use as nk-3 receptor antagonists | HOFFMANN LA ROCHE | 2011-09-28 | — | — | CN | disclosed |
| WO-2010102778-A2 | SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2010-09-16 | — | — | WO | disclosed |
| US-20100234419-A1 | SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS | GRUNENTHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| CN-101253164-A | Indol-3-carbonyl-spiro-piperidine derivatives as v1a receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-08-27 | — | — | CN | disclosed |
| US-3962357-A | FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP | ROHM AND HAAS COMPANY (US) | 1976-06-08 | — | — | 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 (1 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-20100234419-A1 | SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS | KCNQ1, KCNQ2, KCNQ3 | ALDH1A1 3278/4885TSHR 3694/4885ACHE 3980/4885 |
“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.