Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27965937 | 0.82 | TNFSF11 (0.37) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL5099235 | 0.75 | IKBKB (0.53) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL14875542 | 0.75 | ALDH1A1 (0.58) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL27712944 | 0.74 | MAPT (0.56) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL28813368 | 0.73 | ADORA2A (0.38) | HPGDPTGS1PTGS2KMT2ACYP1A2 | |
| SCHEMBL868867 | 0.72 | PTGS2 (0.53) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL27785358 | 0.69 | PTGS2 (0.48) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| Trifluoroacetic Acid SCHEMBL5092977 | 0.69 | IKBKB (0.46) | ALDH1A1HPGDKMT2AMAPTCYP1A2 | |
| SCHEMBL27789075 | 0.69 | ALDH1A1 (0.45) | KDM4EALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL7886963 | 0.69 | NPC1 (0.47) | ALDH1A1KMT2AMAPTMEN1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103958521-A | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-103958475-A | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |