Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.67 |
| ▸ | IDO1 | P14902 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL39970 | 0.98 | TAAR1 (0.69) | TAAR1IDO1ALDH1A1GAAMAPT | |
| SCHEMBL29633165 | 0.98 | TAAR1 (0.69) | TAAR1IDO1ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL9272901 | 0.95 | TAAR1 (0.67) | TAAR1IDO1ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL27527127 | 0.95 | TAAR1 (0.67) | TAAR1IDO1ALDH1A1GAAMAPT | |
| SCHEMBL2782786 | 0.88 | TAAR1 (0.58) | TAAR1IDO1ALDH1A1GAAMAPT | |
| Toluene SCHEMBL28863023 | 0.88 | TAAR1 (0.58) | TAAR1IDO1ALDH1A1GAAMAPT | |
| Aniline SCHEMBL22169202 | 0.88 | TAAR1 (0.58) | TAAR1IDO1ALDH1A1GAAMAPT | |
| Acetonitrile SCHEMBL3928449 | 0.88 | TAAR1 (0.58) | TAAR1IDO1ALDH1A1GAAMAPT | |
| SCHEMBL8356887 | 0.86 | TAAR1 (0.56) | TAAR1IDO1ALDH1A1GAAMAPT | |
| SCHEMBL3866915 | 0.86 | TAAR1 (0.61) | TAAR1IDO1ALDH1A1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020115106-A1 | Methods for forming combinatorial libraries using reductive amination | NEOGENESIS PHARMACEUTICALS, INC. | 2002-08-22 | — | — | US | disclosed |
| WO-2002051775-A2 | METHODS FOR FORMING COMBINATORIAL LIBRARIES USING REDUCTIVE AMINATION | NEOGENESIS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | 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-20020115106-A1 | Methods for forming combinatorial libraries using reductive amination | NIT2, TST, NAAA | TAAR1 1445/4885IDO1 185/4885ALDH1A1 304/4885 |
“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.