Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | PREP | P48147 | 1/20 | 0.49 |
| ▸ | FAP | Q12884 | 1/20 | 0.49 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.49 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6985426 | 0.92 | RORC (0.56) | RORCTHRBALDH1A1PKMCACNA1I | |
| SCHEMBL22583343 | 0.90 | THRB (0.64) | RORCTHRBALDH1A1PKMCACNA1I | |
| SCHEMBL3429186 | 0.86 | ALDH1A1 (0.62) | THRBALDH1A1PKMDPP4PREP | |
| SCHEMBL4179469 | 0.86 | ALDH1A1 (0.62) | THRBALDH1A1PKMDPP4PREP | |
| SCHEMBL5077141 | 0.84 | THRB (0.56) | THRBALDH1A1PKMCACNA1IDPP4 | |
| SCHEMBL18118413 | 0.84 | THRB (0.56) | RORCTHRBALDH1A1PKMCACNA1I | |
| SCHEMBL27793820 | 0.84 | THRB (0.56) | THRBALDH1A1PKMCACNA1IDPP4 | |
| SCHEMBL25211639 | 0.83 | ITGB3 (0.51) | RORCCACNA1ISMYD3TSHRNAMPT | |
| SCHEMBL3330915 | 0.83 | SMN1; SMN2 (0.56) | PKMSMYD3SMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL23850168 | 0.79 | RORC (1.00) | RORCALDH1A1MEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | disclosed |