Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL29217374 | 0.88 | HTR3E (0.37) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27895081 | 0.79 | TSHR (0.38) | TSHR | |
| SCHEMBL9817314 | 0.78 | CYP3A4 (0.44) | ALDH1A1TSHRTDP1 | |
| SCHEMBL27652356 | 0.76 | ALDH1A1 (0.45) | MAPTALDH1A1PARP1POLBTAAR1 | |
| SCHEMBL27336149 | 0.76 | NFE2L2 (0.39) | PARP1RAB9ACHRM5CYP1A2TAAR1 | |
| SCHEMBL27775970 | 0.76 | SCN2A (0.36) | RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL2088529 | 0.76 | HTR3E (0.49) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10825666 | 0.74 | MAPT (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27736294 | 0.74 | HTR3E (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9499893 | 0.74 | HSD17B10 (0.42) | MAPTALDH1A1POLBAOC3RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1117755-C | Spiroazabicyclic heterocyclic compounds | ASTRA AB (SE) | 2003-08-13 | — | — | CN | claimed |
| CN-110960521-A | Application of carbonyl cyanide3-chlorophenylhydrazone in preparation of antibacterial agent for mycobacterium abscessus | 首都医科大学附属北京胸科医院 | 2020-04-07 | — | — | CN | disclosed |
| CN-1117755-C | Spiroazabicyclic heterocyclic compounds | ASTRA AB (SE) | 2003-08-13 | — | — | CN | disclosed |
| CN-1270592-A | Spiroazabicyclic heterocyclic compounds | ASTRA AB (SE) | 2000-10-18 | — | — | CN | disclosed |
| CN-1024668-C | Preparation method of 2- (2-isoxazolidinyl) -2-tetrahydrofuran carboxylic acid derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-05-25 | — | — | CN | disclosed |