Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680505 | 0.86 | TAAR1 (0.56) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL6683974 | 0.84 | TAAR1 (0.54) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL6738136 | 0.84 | TAAR1 (0.71) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL29351396 | 0.84 | TAAR1 (0.71) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL8974781 | 0.81 | TAAR1 (0.40) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL4574904 | 0.81 | TAAR1 (0.40) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL322857 | 0.79 | — | — | |
| SCHEMBL216488 | 0.77 | TAAR1 (0.62) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL30584986 | 0.77 | TAAR1 (0.62) | TAAR1TSHRCYP1A2CYP2D6NFKB1 | |
| SCHEMBL4861130 | 0.75 | TAAR1 (0.60) | TAAR1TSHRCYP1A2CYP2D6NFKB1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113508115-A | Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases | 基因泰克公司 | 2021-10-15 | — | — | CN | disclosed |
| CN-104284894-B9 | Pyrazole compounds | ELI LILLY AND CO. (US) | 2016-04-13 | — | — | CN | disclosed |
| EP-2433940-A1 | SPIROIMIDAZOLONE DERIVATIVE | Chugai Seiyaku Kabushiki Kaisha (JP) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010126030-A1 | SPIROIMIDAZOLONE DERIVATIVE | 中外製薬株式会社 (JP) | 2010-11-04 | — | — | WO | disclosed |
| US-20080171737-A1 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171737-A1 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171737-A1 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-07-17 | — | — | US | disclosed |
| WO-2008073956-A2 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |
| WO-2008073956-A2 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |
| US-4686311-A | Dehydrohalogenation of haloethyl brominated benzenes | ETHYL CORPORATION (US) | 1987-08-11 | — | — | 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-20080171737-A1 | CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | SLC6A4, SLC6A2, SLC6A3 | TAAR1 399/4885TSHR 3614/4885CYP1A2 603/4885 |
“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.