Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MPI | P34949 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL1610337 | 0.89 | BCL2 (0.50) | KDM4EMAPTNPY5RCYP19A1CYP11B2 | |
| SCHEMBL6797992 | 0.80 | NPY5R (0.47) | KDM4EMAPTNPY5RCYP19A1CYP11B2 | |
| SCHEMBL10044904 | 0.79 | KDM4E (0.46) | KDM4EMAPTNPY5RNPC1POLB | |
| SCHEMBL2311211 | 0.79 | METAP1 (0.54) | KDM4EMAPTNPY5RCYP19A1CYP11B2 | |
| SCHEMBL21499318 | 0.79 | SIGMAR1 (0.47) | KDM4EMAPTNPY5RCYP19A1CYP11B2 | |
| SCHEMBL29726357 | 0.79 | MAOB (0.58) | KDM4EMAPTNPY5RCYP19A1ACHE | |
| SCHEMBL120284 | 0.79 | MAOB (0.58) | KDM4EMAPTNPY5RCYP19A1ACHE | |
| SCHEMBL2688155 | 0.78 | MAPT (0.57) | KDM4EMAPTNPY5RNPC1POLB | |
| SCHEMBL2688152 | 0.78 | MAPT (0.57) | KDM4EMAPTNPY5RNPC1POLB | |
| SCHEMBL2688150 | 0.78 | MAPT (0.57) | KDM4EMAPTNPY5RNPC1POLB |
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-6750243-B1 | COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis | AstraZeneća AB (SE) | 2004-06-15 | — | — | US | claimed |
| CN-101747197-A | Synthesis method of (7-methoxyl-1-naphthyl) acetic acid ester | UNIV CHINA PHARMA | 2010-06-23 | — | — | CN | disclosed |