Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.36 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.36 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.36 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.36 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3362831 | 0.82 | ALDH1A1 (0.39) | CYP3A4ALDH1A1CYP2A6MBOAT4TUBB4A | |
| SCHEMBL18851549 | 0.78 | MCHR1 (0.43) | CYP3A4ALDH1A1MCHR1MBOAT4MAPT | |
| SCHEMBL24928598 | 0.78 | ADORA2A (0.41) | CYP3A4ALDH1A1CYP2A6MBOAT4TUBB4A | |
| SCHEMBL6197859 | 0.77 | CCR1 (0.40) | CYP3A4ALDH1A1CYP2A6MAPTADORA2A | |
| SCHEMBL31338938 | 0.77 | MCHR1 (0.42) | CYP3A4MCHR1MBOAT4TUBB4ATUBB | |
| SCHEMBL25253178 | 0.77 | PTGS2 (0.40) | CYP3A4MCHR1MBOAT4ADORA2ANPC1 | |
| SCHEMBL1025383 | 0.77 | TAAR1 (0.52) | CYP3A4ALDH1A1MCHR1MBOAT4MAPT | |
| SCHEMBL28114840 | 0.76 | NAAA (0.40) | ALDH1A1CYP2A6MCHR1MBOAT4TUBB4A | |
| SCHEMBL17541075 | 0.76 | CA12 (0.40) | CYP3A4ALDH1A1MBOAT4TUBB4ATUBB | |
| SCHEMBL26807141 | 0.75 | ACACB (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |