Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL30086871 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRRECQLIDO1TRPA1 | |
| SCHEMBL1259060 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRRECQLIDO1TRPA1 | |
| SCHEMBL28278780 | 0.81 | CYP3A4 (0.62) | CYP3A4TSHRRECQLIDO1MAPT | |
| SCHEMBL5271027 | 0.80 | KMT2A (0.46) | CYP3A4RECQLTRPA1SMN1; SMN2CXCR2 | |
| SCHEMBL19366107 | 0.79 | IDO1 (0.53) | IDO1TRPA1SMN1; SMN2CXCR2MAPT | |
| SCHEMBL8348988 | 0.78 | RAPGEF4 (0.52) | CYP3A4TSHRRECQLSMN1; SMN2MAPT | |
| SCHEMBL8926865 | 0.78 | IDO1 (0.47) | CYP3A4TSHRRECQLIDO1MAPT | |
| SCHEMBL9749743 | 0.77 | CXCR2 (0.51) | SMN1; SMN2CXCR2MAPTGAAKMT2A | |
| SCHEMBL9750778 | 0.77 | CYP3A4 (0.50) | CYP3A4TSHRRECQLIDO1TRPA1 | |
| SCHEMBL8283662 | 0.76 | CYP3A4 (0.43) | CYP3A4TSHRRECQLIDO1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017062688-A1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2017-04-13 | — | — | WO | disclosed |
| EP-0095587-A2 | Dental composite and porcelain repair | DEN-MAT CORPORATION (US) | 1983-12-07 | — | — | EP | disclosed |