Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7602306 | 0.96 | TSHR (0.47) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL7606445 | 0.91 | TSHR (0.42) | TSHRNPSR1ALDH1A1THRBSCN9A | |
| SCHEMBL7606304 | 0.91 | TSHR (0.42) | TSHRNPSR1ALDH1A1THRBSCN9A | |
| SCHEMBL7603093 | 0.87 | TSHR (0.43) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL7604336 | 0.87 | TSHR (0.43) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL5987076 | 0.85 | REN (0.49) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL7636421 | 0.83 | REN (0.53) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL5985698 | 0.77 | REN (0.46) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL5987063 | 0.77 | REN (0.46) | TSHRNPSR1ALDH1A1THRBREN | |
| SCHEMBL12361721 | 0.77 | TSHR (0.43) | TSHRNPSR1ALDH1A1THRBCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | 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-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | REN, AGTR1, AGTR2 | TSHR 772/4885NPSR1 536/4885ALDH1A1 288/4885 |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | REN, AGTR1, AGTR2 | TSHR 1316/4885NPSR1 378/4885ALDH1A1 484/4885 |
“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.