Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL5933087 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL5933074 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL3781111 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL11688083 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL5933048 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL5933058 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL10869589 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL24340465 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDKMT2ALMNA | |
| SCHEMBL27382574 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL11211446 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10CYP1A2CYP2C9 |
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-0449346-B1 | 4-Piperidinyl-ergoline derivatives | PHARMACIA SPA (IT) | 1995-05-10 | — | — | EP | disclosed |
| EP-0449346-A2 | 4-Piperidinyl-ergoline derivatives | PHARMACIA S.p.A. (IT) | 1991-10-02 | — | — | EP | disclosed |