Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL98312 | 0.88 | TSHR (0.60) | EPHX2TP53TSHRNR1H4MITF | |
| SCHEMBL9177111 | 0.86 | TSHR (0.57) | EPHX2TP53TSHRNR1H4MITF | |
| Hydrochloric Acid SCHEMBL7347939 | 0.86 | TSHR (0.57) | EPHX2TP53TSHRNR1H4MITF | |
| Methyl Alcohol SCHEMBL27778102 | 0.86 | TSHR (0.57) | EPHX2TP53TSHRNR1H4MITF | |
| SCHEMBL28556830 | 0.84 | ALDH1A1 (0.56) | EPHX2TP53TSHRNR1H4MITF | |
| Terephthalic Acid SCHEMBL8370036 | 0.83 | TSHR (0.67) | TP53TSHRSRD5A2HPGDALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29059043 | 0.82 | NPC1 (0.44) | TP53TSHRMITFHPGDALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL584210 | 0.82 | MAPT (0.49) | ALDH1A1SMN1; SMN2KIF11MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL584478 | 0.82 | TSHR (0.61) | EPHX2TP53TSHRSMN1; SMN2KIF11 | |
| Trifluoroacetic Acid SCHEMBL9333894 | 0.82 | TSHR (0.61) | EPHX2TP53TSHRSMN1; SMN2KIF11 |
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-2019143273-A1 | NOVEL AMIDINE INHIBITORS OF FACTOR XA | ООО "ФармаДиол" | 2019-07-25 | — | — | WO | disclosed |