Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.45 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 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 | |
|---|---|---|---|---|
| SCHEMBL20814002 | 1.00 | TSHR (0.48) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL11288753 | 0.82 | GAA (0.45) | TSHRHSD17B10ALDH1A1THRBKMT2A | |
| SCHEMBL3989212 | 0.82 | TSHR (0.57) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL3193199 | 0.81 | MEN1 (0.40) | TSHRCA12CA14CA7HSD17B10 | |
| SCHEMBL2324579 | 0.81 | MEN1 (0.40) | TSHRCA12CA14CA7HSD17B10 | |
| Hydrochloric Acid SCHEMBL5595765 | 0.80 | TSHR (0.55) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL88209 | 0.80 | CYP1A2 (0.44) | TSHRHSD17B10ALDH1A1THRBLMNA | |
| SCHEMBL3713828 | 0.80 | CYP1A2 (0.44) | TSHRHSD17B10ALDH1A1THRBLMNA | |
| SCHEMBL20813495 | 0.80 | TSHR (0.44) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL14037307 | 0.79 | TSHR (0.40) | TSHRHSD17B10ALDH1A1THRBKMT2A |
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-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |