Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16074559 | 0.85 | MEN1 (0.44) | ADRB2HPGDCYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL2396469 | 0.83 | CYP11B1 (0.44) | HPGDCYP11B1CYP11B2SMN1; SMN2NPC1 | |
| SCHEMBL458419 | 0.83 | NPC1 (0.46) | HPGDCYP11B1CYP11B2SMN1; SMN2NPC1 | |
| SCHEMBL4549484 | 0.82 | MEN1 (0.43) | TAAR1HPGDSMN1; SMN2NPC1ALOX15 | |
| SCHEMBL16030215 | 0.81 | MAOB (0.43) | TAAR1ADRB2HDAC1HDAC6MAOB | |
| SCHEMBL28238356 | 0.79 | ALDH1A1 (0.49) | HPGDCYP11B1CYP11B2SMN1; SMN2NPC1 | |
| SCHEMBL16029980 | 0.78 | HTR2C (0.40) | ADRB2HDAC1HDAC6L3MBTL1MAPT | |
| SCHEMBL17279827 | 0.78 | GRM5 (0.48) | HPGDCYP11B1CYP11B2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL17454723 | 0.77 | HTR2C (0.39) | ADRB2HDAC1HDAC6L3MBTL1MAPT | |
| SCHEMBL17454654 | 0.76 | ADRB2 (0.36) | ADRB2HDAC1HDAC6MAOB |
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-103694244-B | 3,6 replace-1,2,4-triazole also [3,4-a] Phthalazines and preparation thereof and purposes | ZHENGZHOU UNIVERSITY (CN) | 2016-03-30 | — | — | CN | disclosed |