Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4436344 | 0.82 | ALDH1A1 (0.46) | NPSR1TSHRBLMALDH1A1HPGD | |
| SCHEMBL8145960 | 0.73 | ACHE (0.46) | NPSR1TSHRBLMALDH1A1HPGD | |
| SCHEMBL4432347 | 0.73 | ALDH1A1 (0.50) | NPSR1TSHRALDH1A1ACHELMNA | |
| SCHEMBL16973606 | 0.73 | TDP1 (0.51) | ALDH1A1ACHELMNAKMT2AMEN1 | |
| SCHEMBL8295353 | 0.72 | NR1H4 (0.45) | NPSR1TSHRBLMALDH1A1HPGD | |
| SCHEMBL16246442 | 0.72 | TUBB4A (0.46) | NPSR1TSHRBLMALDH1A1HPGD | |
| SCHEMBL15540879 | 0.72 | TSHR (0.56) | NPSR1TSHRBLMACHECYP3A4 | |
| SCHEMBL4434628 | 0.71 | AKR1C3 (0.51) | HPGDACHECYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4434674 | 0.71 | PDE10A (0.42) | MAPK1 | |
| SCHEMBL8160434 | 0.71 | TUBB1 (0.66) | — |
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 |