Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 3/20 | 0.52 |
| ▸ | IP6K3 | Q96PC2 | 3/20 | 0.52 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.49 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.46 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4076415 | 0.88 | PTPN1 (0.67) | IP6K1IP6K3IP6K2MEN1KMT2A | |
| SCHEMBL1686250 | 0.87 | ALOX5 (0.53) | PTPN1ALOX5ALOX5APSMURF2SMURF1 | |
| SCHEMBL18662451 | 0.84 | PTPN1 (0.46) | IP6K1IP6K3IP6K2MEN1NPC1 | |
| SCHEMBL18662494 | 0.84 | PTPN1 (0.46) | IP6K1IP6K3IP6K2MEN1NPC1 | |
| SCHEMBL18662466 | 0.84 | ALDH1A1 (0.52) | MEN1NPC1POLBKMT2APTPN1 | |
| SCHEMBL15464353 | 0.83 | PTPN1 (0.45) | IP6K1IP6K3IP6K2MEN1NPC1 | |
| SCHEMBL18662474 | 0.83 | TRPV1 (0.52) | MEN1KMT2AMAPT | |
| SCHEMBL768622 | 0.81 | ALOX5 (0.48) | IP6K1IP6K3IP6K2MEN1NPC1 | |
| SCHEMBL5590836 | 0.81 | IP6K1 (0.58) | IP6K1IP6K3IP6K2PTPN1SMURF2 | |
| SCHEMBL18662492 | 0.79 | TRPV1 (0.50) | IP6K1IP6K3IP6K2PTPN1ALOX5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |