Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.44 |
| ▸ | WNT3A | P56704 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11276527 | 0.76 | RAB9A (0.40) | RAB9ANPC1CTNNB1WNT3AHPGD | |
| SCHEMBL11284831 | 0.76 | CHRM3 (0.50) | ALDH1A1MAPTSMN1; SMN2DAOMEN1 | |
| SCHEMBL14533674 | 0.73 | CHRM3 (0.43) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL73892 | 0.71 | DAO (0.45) | ALDH1A1MAPTSMN1; SMN2CES2CES1 | |
| SCHEMBL73891 | 0.71 | CHRM3 (0.43) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL3818506 | 0.71 | KCNN4 (0.52) | RAB9ANPC1ALDH1A1SMN1; SMN2CES2 | |
| Bromide SCHEMBL16713401 | 0.70 | DAO (0.43) | ALDH1A1MAPTSMN1; SMN2CES2CES1 | |
| SCHEMBL30990195 | 0.70 | CHRM3 (0.42) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13216628 | 0.70 | CHRM3 (0.43) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| Fluoride SCHEMBL14940050 | 0.70 | DAO (0.43) | ALDH1A1MAPTSMN1; SMN2CES2CES1 |
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-4344954-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-17 | — | — | US | disclosed |