Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | IL1RN | P18510 | 5/20 | 0.55 |
| ▸ | ERAP2 | Q6P179 | 5/20 | 0.55 |
| ▸ | ERAP1 | Q9NZ08 | 4/20 | 0.55 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY4R | P50391 | 1/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8337125 | 0.94 | TSHR (0.56) | TSHRIL1RNERAP2ERAP1NPY1R | |
| SCHEMBL8338416 | 0.85 | TSHR (0.54) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL8336881 | 0.85 | TSHR (0.60) | TSHRALDH1A1KDR | |
| SCHEMBL8334773 | 0.85 | TSHR (0.60) | TSHRERAP2ERAP1ALDH1A1KDR | |
| SCHEMBL4363977 | 0.83 | TSHR (0.61) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL4369419 | 0.83 | TSHR (0.61) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL13669588 | 0.82 | TSHR (0.67) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL11580063 | 0.82 | TSHR (0.67) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL4366475 | 0.82 | TSHR (0.67) | TSHRERAP2ERAP1ALDH1A1THRB | |
| SCHEMBL13669590 | 0.82 | TSHR (0.67) | TSHRERAP2ERAP1ALDH1A1THRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004101494-A1 | CALPAIN INHIBITORS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2004-11-25 | — | — | WO | disclosed |