Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6138031 | 0.85 | CA1 (0.45) | NPC1KMT2AUTS2RCA2POLB | |
| SCHEMBL8286124 | 0.78 | CDK4 (0.48) | NPC1KMT2ACA12CA2CA9 | |
| SCHEMBL6137840 | 0.74 | SCN5A (0.49) | NPC1KMT2ARAB9ALMNAMAPT | |
| SCHEMBL6137702 | 0.73 | MEN1 (0.47) | NPC1KMT2ARAB9AGAAALDH1A1 | |
| SCHEMBL9368117 | 0.72 | ALDH1A1 (0.46) | NPC1KMT2ARAB9AGAAALDH1A1 | |
| SCHEMBL8582839 | 0.72 | HPGD (0.44) | NPC1RAB9AGAAALDH1A1CES2 | |
| SCHEMBL19190075 | 0.71 | HPGD (0.47) | KMT2AUTS2RALDH1A1LMNACES2 | |
| SCHEMBL12237841 | 0.71 | CDK4 (0.50) | UTS2RALDH1A1LMNACES2CES1 | |
| Hydrochloric Acid SCHEMBL8767653 | 0.70 | GRIN2D (0.41) | NPC1RAB9AGAAALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL8767719 | 0.70 | CA1 (0.45) | KMT2ACA2CES2CES1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1032556-A4 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | CAMBRIDGE NEUROSCIENCE INC (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-1032556-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999020599-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1999-04-29 | — | — | WO | disclosed |