Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | SOX18 | P35713 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4987237 | 0.71 | CYP1A2 (0.63) | SLC13A5CYP1A2PDPK1SOX18FNTA | |
| SCHEMBL8059151 | 0.71 | GRM2 (0.38) | CHRM3POLB | |
| SCHEMBL8058437 | 0.70 | TBXAS1 (0.49) | CYP1A2 | |
| SCHEMBL6571573 | 0.70 | SLC13A5 (0.59) | SLC13A5CYP1A2PDPK1SOX18HDAC1 | |
| SCHEMBL4610682 | 0.68 | CYP1A2 (0.50) | SLC13A5CYP1A2PDPK1CYP2A6 | |
| SCHEMBL20067118 | 0.68 | CYP1A2 (0.50) | SLC13A5CYP1A2PDPK1CYP2A6 | |
| SCHEMBL4988266 | 0.67 | CYP1A2 (0.56) | SLC13A5CYP1A2PTPN1PDPK1MME | |
| SCHEMBL14169761 | 0.67 | CYP1A2 (0.68) | SLC13A5CYP1A2PDPK1SOX18HDAC1 | |
| SCHEMBL7637647 | 0.67 | CETP (0.58) | SLC13A5CYP1A2PDPK1SOX18FNTA | |
| SCHEMBL5059747 | 0.67 | CYP1A2 (0.46) | SLC13A5CYP1A2PDPK1SOX18FNTA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002514160-A | — | — | 2002-05-14 | — | — | JP | claimed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | claimed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | claimed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | claimed |