Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25910313 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL8230805 | 0.87 | KLKB1 (0.57) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL313244 | 0.81 | ALDH1A1 (0.73) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL13753348 | 0.79 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL8507040 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL2695793 | 0.76 | CCR2 (0.56) | ALDH1A1HPGDLMNAL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL2907820 | 0.76 | CCR2 (0.55) | ALDH1A1HPGDLMNAL3MBTL1KDM4E | |
| Iodide SCHEMBL17555122 | 0.76 | CCR2 (0.55) | ALDH1A1HPGDLMNAL3MBTL1KDM4E | |
| SCHEMBL14434229 | 0.73 | KDM4E (0.57) | ALDH1A1MEN1KMT2AHPGDLMNA | |
| SCHEMBL9834670 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AHPGDLMNA |
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-8093428-B2 | Synthesis of quaternary salt compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-01-10 | — | — | US | disclosed |