Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4584616 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL4583989 | 0.79 | PTGS2 (0.35) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL4583984 | 0.79 | PTGS2 (0.35) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL21384072 | 0.76 | CREBBP (0.45) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL480137 | 0.74 | CREBBP (0.58) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL4585032 | 0.74 | CREBBP (0.46) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL27298387 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL4584619 | 0.72 | KMT2A (0.40) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL709323 | 0.72 | BRD4 (0.47) | ALDH1A1HTTHPGDMAPTLMNA | |
| SCHEMBL28300808 | 0.72 | BRD4 (0.47) | ALDH1A1HTTHPGDMAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407961-B2 | Pyrazine derivatives and pharmaceutical use thereof | ASTELLAS PHARMA INC. (JP) | 2008-08-05 | — | — | US | disclosed |