Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16973606 | 0.87 | TDP1 (0.51) | ALDH1A1MAPTLMNAACHEPOLB | |
| SCHEMBL4434628 | 0.82 | AKR1C3 (0.51) | MAPTACHEPPARGPPARDPPARA | |
| SCHEMBL8295353 | 0.80 | NR1H4 (0.45) | ALDH1A1LMNAKDM4EACHEPPARG | |
| SCHEMBL8145960 | 0.78 | ACHE (0.46) | ALDH1A1MAPTLMNAKDM4EACHE | |
| SCHEMBL16246442 | 0.77 | TUBB4A (0.46) | ALDH1A1KDM4EHTTACHEPPARG | |
| Acetone SCHEMBL8119850 | 0.77 | STAT3 (0.42) | ALDH1A1LMNAHTTACHEPOLB | |
| SCHEMBL15540879 | 0.76 | TSHR (0.56) | HTTACHECYP3A4TSHRKMT2A | |
| SCHEMBL16867628 | 0.76 | ACHE (0.53) | ACHEPPARGPPARDPPARACYP1A2 | |
| SCHEMBL16867623 | 0.76 | ACHE (0.53) | ACHEPPARGPPARDPPARACYP1A2 | |
| SCHEMBL19365873 | 0.76 | ACHE (0.53) | ACHEPPARGPPARDPPARACYP1A2 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |