Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | F10 | P00742 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16596173 | 0.88 | ITGB3 (0.62) | MAPTCHRM1ITGB3ITGA2BLMNA | |
| SCHEMBL13801421 | 0.84 | MAPT (0.58) | MAPTCHRM1ITGB3ITGA2BLMNA | |
| SCHEMBL7368202 | 0.84 | ITGB3 (0.67) | MAPTCHRM1ITGB3ITGA2BLMNA | |
| SCHEMBL12282092 | 0.84 | MAPT (0.76) | MAPTUSP2LMNANPSR1NAMPT | |
| SCHEMBL21084409 | 0.81 | CNR1 (0.68) | MAPTUSP2LMNA | |
| SCHEMBL8776300 | 0.81 | MAPT (0.61) | MAPTCHRM1ITGB3ITGA2BLMNA | |
| SCHEMBL13801423 | 0.80 | CYP2C9 (0.51) | CHRM1ITGB3ITGA2BCYP3A4CYP2D6 | |
| SCHEMBL8543870 | 0.79 | ITGB3 (0.53) | MAPTCHRM1ITGB3ITGA2BLMNA | |
| SCHEMBL8325536 | 0.79 | MAPT (0.68) | MAPTLMNA | |
| SCHEMBL6779212 | 0.79 | MAPT (0.63) | MAPTUSP2LMNANPSR1NAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751851-B2 | Molecules and compositions that inhibit gram negative bacteria and their uses | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-09-05 | — | — | US | disclosed |
| EP-1421071-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS | NOVO NORDISK A/S (DK) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003004480-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS | NOVO NORDISK A/S (DK) | 2003-01-16 | — | — | WO | disclosed |