Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13604142 | 0.86 | TSHR (0.41) | TSHRTDP1ALDH1A1 | |
| SCHEMBL24464156 | 0.86 | TSHR (0.41) | TSHRTDP1ALDH1A1 | |
| SCHEMBL14216838 | 0.86 | TSHR (0.41) | TSHRTDP1ALDH1A1 | |
| SCHEMBL78076 | 0.86 | TSHR (0.41) | TSHRTDP1ALDH1A1 | |
| SCHEMBL12659394 | 0.86 | TSHR (0.41) | TSHRTDP1ALDH1A1 | |
| Sulfurous Acid SCHEMBL8746239 | 0.84 | TSHR (0.32) | TSHRTDP1CA1CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10397581 | 0.83 | TSHR (0.39) | TSHRTDP1ALDH1A1 | |
| Sulfurous Acid SCHEMBL8978399 | 0.81 | KDM4E (0.35) | TSHRTDP1CA1CA2ALDH1A1 | |
| Phosphonic Acid SCHEMBL11365711 | 0.79 | TSHR (0.32) | TSHRTDP1ALDH1A1 | |
| SCHEMBL12315039 | 0.78 | PIK3CD (0.42) | TSHRTDP1CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445609-B1 | Mixed condensation products | BAYER AG (DE) | 1996-05-08 | — | — | EP | disclosed |
| EP-0445609-A2 | Mixed condensation products | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |