Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1751811 | 1.00 | ACACB (0.41) | ACACBPYCR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8763089 | 0.89 | ESR2 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL7717085 | 0.83 | ESR2 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL26936224 | 0.81 | ACACB (0.40) | ACACBALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9672981 | 0.81 | ACACB (0.40) | ACACBALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10618895 | 0.79 | ESR2 (0.44) | ACACBPYCR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL11200321 | 0.79 | ACACB (0.45) | ACACBPYCR1SIGMAR1TAAR1MEN1 | |
| SCHEMBL14032395 | 0.79 | ESR1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TAAR1 | |
| SCHEMBL30567455 | 0.79 | SLC6A2 (0.55) | ACACBALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3945082 | 0.79 | CYP2A6 (0.54) | ALDH1A1MAOBTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856228-B2 | Peptidyl nitril compounds as dipeptidyl peptidase I inhibitors | PROZYMEX A/S (DK) | 2018-01-02 | — | — | US | disclosed |
| US-20160207900-A1 | PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS | PROZYMEX A/S (DK) | 2016-07-21 | — | — | US | disclosed |
| US-8772507-B2 | Imidazole-benzamide anti-cancer agents | CYTOKINETICS, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20130096315-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | QIAN XIANGPING (US) | 2013-04-18 | — | — | US | disclosed |
| US-20120283287-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2012-11-08 | — | — | 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 (3 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-20160207900-A1 | PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS | DPP4, DPP3, DPP8 | ACACB 1229/4885PYCR1 3080/4885ALDH1A1 1347/4885 |
| US-20120283287-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | KIF5B, KIF2C, PLK1 | ACACB 903/4885PYCR1 2760/4885ALDH1A1 2159/4885 |
| US-20130096315-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | KIF5B, KIF2C, PLK1 | ACACB 621/4885PYCR1 2886/4885ALDH1A1 1977/4885 |
“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.