Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LYN | P07948 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | ACACA | Q13085 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30167753 | 0.92 | TP53 (0.61) | ALDH1A1TP53CYP3A4LTA4HACHE | |
| SCHEMBL129831 | 0.92 | TP53 (0.61) | ALDH1A1TP53CYP3A4LTA4HACHE | |
| Ammonia Solution, Strong SCHEMBL27820327 | 0.90 | TP53 (0.59) | ALDH1A1TP53CYP3A4ACHETDP1 | |
| SCHEMBL9488001 | 0.90 | TP53 (0.63) | ALDH1A1TP53CYP3A4LTA4HTDP1 | |
| SCHEMBL8736875 | 0.87 | LTA4H (0.60) | ALDH1A1TP53CYP3A4LTA4HTDP1 | |
| Cyanide SCHEMBL28149867 | 0.86 | TP53 (0.55) | ALDH1A1TP53CYP3A4ACHETDP1 | |
| SCHEMBL1688852 | 0.85 | ALDH1A1 (0.69) | ALDH1A1ACHETDP1L3MBTL1LYN | |
| SCHEMBL4961329 | 0.85 | TP53 (0.53) | ALDH1A1TP53CYP3A4ACHETDP1 | |
| SCHEMBL11745385 | 0.84 | LTA4H (0.73) | ALDH1A1TP53CYP3A4LTA4HTDP1 | |
| SCHEMBL5986733 | 0.84 | LTA4H (0.73) | ALDH1A1TP53CYP3A4LTA4HL3MBTL1 |
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 9 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-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-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-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 |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | US | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | 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 (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 | ALDH1A1 288/4885TP53 3906/4885CYP3A4 168/4885 |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | REN, AGTR1, AGTR2 | ALDH1A1 484/4885TP53 4337/4885CYP3A4 408/4885 |
“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.