Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27770580 | 0.84 | ALDH1A1 (0.43) | TSHRLMNAACHEAKR1C3CYP1A2 | |
| SCHEMBL27770608 | 0.79 | TSHR (0.45) | TSHRALDH1A1CCNT1CDK9 | |
| SCHEMBL641568 | 0.77 | PTPRC (0.48) | PTPRCTSHRLMNAACHENPSR1 | |
| SCHEMBL10128358 | 0.76 | PTPRC (0.47) | PTPRCTSHRLMNAACHENPSR1 | |
| SCHEMBL27749823 | 0.75 | TRPA1 (0.40) | LMNANPSR1GAACYP1A2CYP2C9 | |
| SCHEMBL641569 | 0.74 | PTPRC (0.48) | PTPRCTSHRLMNAGAAAKR1C3 | |
| SCHEMBL11691192 | 0.74 | TSHR (0.57) | PTPRCTSHRLMNAACHENFE2L2 | |
| SCHEMBL643448 | 0.74 | PTPRC (0.50) | PTPRCTSHRLMNAACHENPSR1 | |
| SCHEMBL27749895 | 0.74 | NPSR1 (0.42) | TSHRLMNAACHENPSR1GAA | |
| Butane SCHEMBL27534192 | 0.73 | KIF11 (0.54) | PTPRCTSHRLMNAACHEKEAP1 |
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-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | claimed |
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | disclosed |