Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9763377 | 1.00 | NPC1 (0.43) | NPC1RAB9AGRIN1GRIN2BHPGD | |
| SCHEMBL9762517 | 0.88 | NPC1 (0.43) | NPC1RAB9AGRIN1GRIN2BHPGD | |
| SCHEMBL9762521 | 0.88 | NPC1 (0.43) | NPC1RAB9AGRIN1GRIN2BHPGD | |
| SCHEMBL9764632 | 0.80 | DRD2 (0.47) | NPC1RAB9AHPGDSMN1; SMN2ALOX5 | |
| SCHEMBL9764622 | 0.80 | DRD2 (0.47) | NPC1RAB9AHPGDSMN1; SMN2ALOX5 | |
| SCHEMBL10478060 | 0.77 | ADRB2 (0.49) | KDM4ELMNASMN1; SMN2 | |
| SCHEMBL10478066 | 0.77 | ADRB2 (0.49) | KDM4ELMNASMN1; SMN2 | |
| SCHEMBL9762906 | 0.75 | ADRB2 (0.66) | KDM4EKCNH2CYP2C9 | |
| SCHEMBL7768636 | 0.73 | IDO1 (0.50) | ALOX5 | |
| SCHEMBL9763303 | 0.72 | NPC1 (0.46) | NPC1RAB9AHPGDKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |