Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KHK | P50053 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7857823 | 0.83 | ALDH1A1 (0.58) | NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A | |
| Formaldehyde SCHEMBL27605839 | 0.81 | ALDH1A1 (0.52) | NPSR1KDM4EALDH1A1KHKSMN1; SMN2 | |
| SCHEMBL20239570 | 0.81 | NPSR1 (0.47) | CHRM1NPSR1HPGDHTTKDM4E | |
| Trifluoroacetic Acid SCHEMBL31621378 | 0.79 | SMN1; SMN2 (0.52) | CHRM1NPSR1HPGDHTTKDM4E | |
| Trifluoroacetic Acid SCHEMBL3717753 | 0.79 | ALDH1A1 (0.68) | CHRM1NPSR1HPGDHTTKDM4E | |
| Trifluoroacetic Acid SCHEMBL8515964 | 0.78 | SMN1; SMN2 (0.58) | CHRM1KDM4EALDH1A1SMN1; SMN2RAB9A | |
| Trifluoroacetic Acid SCHEMBL5659985 | 0.77 | FAAH (0.49) | CHRM1NPSR1HPGDHTTKDM4E | |
| SCHEMBL9171113 | 0.77 | KMT2A (0.51) | CHRM1NPSR1HPGDHTTKDM4E | |
| SCHEMBL28329483 | 0.77 | NPSR1 (0.43) | CHRM1NPSR1HPGDHTTKDM4E | |
| SCHEMBL29795482 | 0.76 | LTA4H (0.56) | NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999037667-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1999-07-29 | — | — | WO | disclosed |