Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.35 |
| ▸ | TSHR | P16473 | 13/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11165230 | 0.83 | AMPD2 (0.36) | ALDH1A1CYP3A4TSHRSMN1; SMN2CASP1 | |
| SCHEMBL7474273 | 0.78 | TSHR (0.44) | ALDH1A1CYP3A4TSHRKMT2AMEN1 | |
| SCHEMBL11174421 | 0.78 | SMN1; SMN2 (0.35) | ALDH1A1CYP3A4TSHRSMN1; SMN2CASP1 | |
| SCHEMBL11169057 | 0.75 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL7509237 | 0.75 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11175631 | 0.73 | — | — | |
| SCHEMBL11187872 | 0.72 | — | — | |
| SCHEMBL9440168 | 0.72 | ACHE (0.33) | ALDH1A1 | |
| SCHEMBL5062027 | 0.72 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRKMT2AMEN1 | |
| SCHEMBL10576363 | 0.72 | — | — |
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-5112890-A | Piperidine compound with oxygen bonded to ring nitrogen | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |