Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6066522 | 0.88 | CA12 (0.64) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL3453843 | 0.80 | CA12 (0.74) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL27586214 | 0.77 | KDM4E (0.63) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL9005609 | 0.77 | TTR (0.56) | KDM4EPOLBALDH1A1TSHRCA12 | |
| SCHEMBL13529205 | 0.77 | CA12 (0.64) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL9005554 | 0.77 | HSD17B2 (0.70) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL13693079 | 0.77 | ESR1 (0.65) | KDM4EPOLBESR1TSHRSLC6A2 | |
| SCHEMBL18789684 | 0.75 | CA12 (0.62) | KDM4EPOLBESR1ALDH1A1CA12 | |
| SCHEMBL8887439 | 0.75 | KDM4E (1.00) | KDM4EPOLBESR1ALDH1A1TSHR | |
| SCHEMBL16605589 | 0.75 | MAPT (0.57) | ESR1ALDH1A1TSHRCA12CA1 |
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-3492465-B1 | S1P1 AGONIST AND APPLICATION THEREOF | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-03-24 | — | — | EP | disclosed |
| EP-3492465-A1 | S1P1 AGONIST AND APPLICATION THEREOF | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |