Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ATF1 | P18846 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.43 |
| ▸ | TUBB | P07437 | 2/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.43 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.43 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.43 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17617989 | 0.78 | IDH1 (0.49) | HPGDALOX15TUBB4ATUBBTUBA3C | |
| SCHEMBL73113 | 0.78 | HPGD (0.59) | HPGDALOX15TUBB4ATUBBTUBA3C | |
| SCHEMBL1489997 | 0.78 | ATF1 (0.48) | ATF1NFKB1KDM4ENPC1RAB9A | |
| SCHEMBL23050263 | 0.76 | BCHE (0.41) | HPGDATF1NFKB1CYP1A2CYP2C9 | |
| SCHEMBL16372124 | 0.75 | ATF1 (0.49) | HPGDALOX15ATF1NFKB1KDM4E | |
| SCHEMBL3365555 | 0.73 | HPGD (0.47) | HPGDALOX15TUBB4ATUBBTUBA3C | |
| SCHEMBL27500457 | 0.71 | CYP1A2 (0.51) | HPGDALOX15NFKB1TUBB4ATUBB | |
| SCHEMBL11841419 | 0.70 | PTK2 (0.61) | HPGDALOX15NFKB1KDM4EALDH1A1 | |
| SCHEMBL1748325 | 0.70 | GAA (0.48) | ATF1NFKB1ALDH1A1ESR1 | |
| SCHEMBL9358296 | 0.69 | HPGD (0.71) | HPGDALOX15KDM4EALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593215-A | 2, 4-or 4, 6-diaminopyrimidine compounds as IDH2 mutant inhibitors for the treatment of cancer | AGIOS PHARMACEUTICALS INC | 2016-05-18 | — | — | CN | disclosed |