Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MYC | P01106 | 2/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7492153 | 0.85 | HTT (0.44) | ALDH1A1TP53CA1CA2SMN1; SMN2 | |
| SCHEMBL10334495 | 0.85 | SMN1; SMN2 (0.57) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL4437995 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL823686 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL11765343 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL12505458 | 0.83 | KDM4E (0.54) | ALDH1A1TP53CA1CA2SMN1; SMN2 | |
| SCHEMBL1262469 | 0.80 | ABL1 (0.56) | ALDH1A1TSHRSMN1; SMN2KDM4EGAA | |
| SCHEMBL31620799 | 0.80 | ABL1 (0.56) | ALDH1A1TSHRSMN1; SMN2KDM4EGAA | |
| SCHEMBL12164877 | 0.80 | ADRA1D (0.43) | ALDH1A1TP53CA1CA2SMN1; SMN2 | |
| SCHEMBL16954098 | 0.80 | CCR2 (0.40) | ALDH1A1TP53CA1CA2SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10570148-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-02-25 | — | — | US | disclosed |
| US-20180222919-A1 | N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-08-09 | — | — | US | disclosed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | 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-10570148-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | HRH3, CBR3, KCNH3 | ALDH1A1 2874/4885TP53 3119/4885CA1 2151/4885 |
| US-20180222919-A1 | N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE | HRH3, CBR3, KCNH3 | ALDH1A1 2874/4885TP53 3119/4885CA1 2151/4885 |
“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.