Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Undecane SCHEMBL2400559 | 0.83 | LTA4H (0.44) | NR1I2LMNACHRM2CYP3A4ADRA2A | |
| Phosphonic Acid SCHEMBL11043576 | 0.79 | MEN1 (0.55) | PRSS1PRSS2PRSS3SLC2A1MEN1 | |
| Butane SCHEMBL976220 | 0.75 | LTA4H (0.38) | KMT2ALMNA | |
| Phenylphosphonic Acid SCHEMBL11040244 | 0.75 | CA2 (0.44) | SLC2A1MEN1KMT2ASCN5ASCN2A | |
| Phenylphosphonic Acid SCHEMBL11039046 | 0.75 | CA2 (0.44) | SLC2A1MEN1KMT2ASCN5ASCN2A | |
| Propane SCHEMBL21218996 | 0.73 | ALOX15 (0.39) | LMNA | |
| SCHEMBL11038146 | 0.73 | MEN1 (0.67) | PRSS1PRSS2PRSS3SLC2A1MEN1 | |
| Bromide SCHEMBL11045675 | 0.73 | MEN1 (0.67) | PRSS1PRSS2PRSS3SLC2A1MEN1 | |
| SCHEMBL11039593 | 0.73 | MEN1 (0.67) | PRSS1PRSS2PRSS3SLC2A1MEN1 | |
| SCHEMBL7130947 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4435381-A | ANTICARIES AGENTS, MOUTHWASHES | THE DOW CHEMICAL COMPANY (US) | 1984-03-06 | — | — | US | claimed |
| US-4435381-A | ANTICARIES AGENTS, MOUTHWASHES | THE DOW CHEMICAL COMPANY (US) | 1984-03-06 | — | — | US | disclosed |