Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | PLK1 | P53350 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21590248 | 0.90 | TSHR (0.49) | TSHRALDH1A1LMNAGAAHPGD | |
| SCHEMBL16445957 | 0.84 | ALDH1A1 (0.68) | TSHRALDH1A1LMNAGAAHPGD | |
| SCHEMBL8245934 | 0.82 | FOLH1 (0.59) | TSHRALDH1A1LMNAHPGDHTT | |
| SCHEMBL11743421 | 0.82 | GAA (0.52) | ALDH1A1LMNAGAAHPGDPLK1 | |
| SCHEMBL21192538 | 0.82 | GAA (0.56) | ALDH1A1LMNAGAAHPGDPLK1 | |
| SCHEMBL13705878 | 0.82 | GAA (0.52) | TSHRALDH1A1LMNAGAAHPGD | |
| SCHEMBL19604258 | 0.82 | TSHR (0.55) | TSHRALDH1A1LMNAHPGDADRB2 | |
| SCHEMBL364447 | 0.81 | TSHR (0.53) | TSHRALDH1A1LMNAHPGDHTT | |
| SCHEMBL8338794 | 0.81 | GAA (0.55) | ALDH1A1LMNAGAAHPGDPLK1 | |
| SCHEMBL5954191 | 0.80 | GAA (0.57) | TSHRALDH1A1LMNAGAAHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026077-A | PHENOXYMETHYL DERIVATIVES | 豪夫迈·罗氏有限公司 | 2018-05-11 | — | — | CN | claimed |
| EP-2419423-A1 | FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS | Cellzome Limited (GB) | 2012-02-22 | — | — | EP | claimed |
| WO-2010118986-A1 | FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS | CELLZOME LIMITED (GB) | 2010-10-21 | — | — | WO | claimed |
| WO-2021120890-A1 | PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS | NOVARTIS AG (CH) | 2021-06-24 | — | — | WO | disclosed |
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |