Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1266336 | 0.78 | ESR1 (0.49) | ALDH1A1ESR1ESR2TSHRKMT2A | |
| SCHEMBL7559963 | 0.74 | RYR2 (0.63) | KDM1ARYR2ALDH1A1ESR1ESR2 | |
| SCHEMBL16503316 | 0.71 | KMT2A (0.44) | ALDH1A1KDM4EESR1ESR2TSHR | |
| SCHEMBL6677893 | 0.67 | BRD4 (0.46) | RYR2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL2103706 | 0.67 | KMT2A (0.64) | ESR1ESR2TSHRNPSR1KMT2A | |
| SCHEMBL1498003 | 0.67 | ALDH1A1 (0.59) | RYR2ALDH1A1KDM4EHPGDKMT2A | |
| Sulfuric Acid SCHEMBL30114767 | 0.66 | CES1 (0.41) | ALDH1A1KDM4EHPGDTSHRNPC1 | |
| SCHEMBL6238887 | 0.65 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTSHRNPC1 | |
| SCHEMBL29836089 | 0.65 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTSHRNPC1 | |
| SCHEMBL11633335 | 0.65 | MAOA (0.50) | KDM1AALDH1A1KDM4EHPGDTSHR |
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-5580866-A | Therapeutic 1,4-thiazepines | THE BOOTS COMPANY PLC (GB) | 1996-12-03 | — | — | US | claimed |