Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10608137 | 0.84 | TSHR (0.58) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL28823249 | 0.83 | ABCG2 (0.39) | TSHRALDH1A1MAPTALOX5CA2 | |
| SCHEMBL16246163 | 0.79 | ATM (0.55) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL16095279 | 0.79 | TSHR (0.53) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL5716652 | 0.79 | TSHR (0.53) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL11132389 | 0.78 | KCNH2 (0.48) | ALDH1A1KDM4ECA2HTR2ACYP3A4 | |
| SCHEMBL6812707 | 0.77 | POLB (0.63) | TSHRALDH1A1KDM4EMAPTPOLB | |
| Methane SCHEMBL21550186 | 0.77 | TSHR (0.55) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL29987829 | 0.77 | POLB (0.63) | TSHRALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL4434688 | 0.76 | TSHR (0.53) | TSHRALDH1A1MAPTPOLBGAA |
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-2023281417-A1 | PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS | GLENMARK SPECIALTY S.A. (CH) | 2023-01-12 | — | — | WO | disclosed |