Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17986342 | 0.83 | RAB9A (0.47) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17217989 | 0.79 | RAB9A (0.44) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17986285 | 0.79 | RAB9A (0.50) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17986286 | 0.79 | RAB9A (0.50) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17217987 | 0.79 | RAB9A (0.44) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL6668462 | 0.78 | FFAR1 (0.46) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL28106820 | 0.77 | RAB9A (0.55) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17218254 | 0.77 | RAB9A (0.43) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17218250 | 0.77 | RAB9A (0.43) | RAB9AKMT2ANPC1TDP1HTT | |
| SCHEMBL17218959 | 0.76 | RAB9A (0.45) | RAB9AKMT2ANPC1TDP1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066273-A | A kind of single arylpyrimidines HIV-1 reverse transcriptase inhibitor of the ring containing triazole and the preparation method and application thereof | 山东大学 | 2019-07-30 | — | — | CN | claimed |
| CN-109705095-A | A kind of condensed ring 1,4-benzoquinone class CDC25 protein phosphatase inhibitor of the ring containing triazole and its preparation method and application | 山东大学 | 2019-05-03 | — | — | CN | claimed |
| CN-108586482-A | A kind of Diarylmiazines HIV-1 inhibitor of the ring containing triazole and its preparation method and application | 山东大学 | 2018-09-28 | — | — | CN | claimed |
| CN-108586482-A | A kind of Diarylmiazines HIV-1 inhibitor of the ring containing triazole and its preparation method and application | 山东大学 | 2018-09-28 | — | — | CN | disclosed |