Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.38 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899986 | 0.81 | TRPA1 (0.38) | CYP2C19ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL8647806 | 0.79 | CA12 (0.42) | CYP2C19RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL8647804 | 0.79 | CA12 (0.42) | CYP2C19RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL6493624 | 0.75 | BACE1 (0.36) | CYP2C19RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL6493621 | 0.75 | BACE1 (0.36) | CYP2C19RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL14721695 | 0.71 | KIF11 (0.32) | RAB9AALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL14721137 | 0.70 | PDK2 (0.35) | — | |
| SCHEMBL14721138 | 0.70 | — | — | |
| SCHEMBL7132075 | 0.70 | TUBB4A (0.50) | CYP2C19RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL9268881 | 0.70 | TUBB4A (0.50) | CYP2C19RAB9AALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2506970-A1 | SURFACTANT-ENABLED TRANSITION METAL-CATALYZED CHEMISTRY | Mycell Holdings Limited (US) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011068895-A1 | SURFACTANT-ENABLED TRANSITION METAL-CATALYZED CHEMISTRY | MyCell Holdings Limited (US) | 2011-06-09 | — | — | WO | disclosed |