Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | XBP1 | P17861 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23217732 | 0.77 | CYP1A2 (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MAPT | |
| SCHEMBL6649202 | 0.76 | KMT2A (0.49) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C19 | |
| SCHEMBL9248628 | 0.76 | SLC6A3 (0.45) | JMJD6NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL480184 | 0.72 | TTR (0.45) | RAB9ABAZ2BBAZ2AMEN1KMT2A | |
| SCHEMBL9246003 | 0.71 | SLC6A3 (0.41) | JMJD6NPC1RAB9AXBP1SMN1; SMN2 | |
| SCHEMBL18045051 | 0.69 | MEN1 (0.44) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL19002423 | 0.69 | KMT2A (0.43) | NPC1RAB9AALDH1A1LMNACYP1A2 | |
| SCHEMBL27301733 | 0.68 | BAZ2B (0.46) | ALDH1A1LMNANPSR1CYP1A2HSP90AA1 | |
| SCHEMBL7558237 | 0.68 | MAPT (0.49) | JMJD6LMNASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL1496824 | 0.68 | MAPK1 (0.55) | JMJD6NPC1RAB9AALDH1A1LMNA |
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-3074400-A1 | NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL | F. Hoffmann-La Roche AG (CH) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015078803-A1 | NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-04 | — | — | WO | disclosed |