Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12767740 | 1.00 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL14845917 | 1.00 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL15906372 | 0.91 | CPB1 (0.44) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL4083307 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL4083309 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL3337347 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL3337341 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP3A4 | |
| SCHEMBL8262488 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRTACR1 | |
| SCHEMBL12891133 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRTACR1 | |
| SCHEMBL1241036 | 0.80 | DPP4 (0.45) | ALDH1A1GAACPB1TSHRTACR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008060488-A1 | TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2008-05-22 | — | — | WO | disclosed |
| WO-2007087231-A2 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |