Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978950 | 0.74 | PTGS2 (0.43) | HDAC1HDAC8HDAC6ALDH1A1TP53 | |
| SCHEMBL3990192 | 0.73 | GPR84 (0.58) | ALDH1A1TP53SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3975404 | 0.72 | CREBBP (0.45) | ALDH1A1HTTHPGDHSD17B10KDM4E | |
| SCHEMBL28242027 | 0.72 | KMO (0.40) | LMNAMEN1KMT2A | |
| SCHEMBL3655141 | 0.71 | KMT2A (0.50) | CNR2ALDH1A1SMN1; SMN2RAB9AHPGD | |
| SCHEMBL3972624 | 0.71 | POLB (0.55) | ALDH1A1SMN1; SMN2RAB9AHTTLMNA | |
| SCHEMBL8168101 | 0.70 | CNR2 (0.63) | CNR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL645673 | 0.69 | HDAC3 (0.62) | CNR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3973488 | 0.69 | NR4A2 (0.51) | CNR2ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL3993831 | 0.69 | NTRK1 (0.42) | RAB9ANPC1MEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |