Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | DNM2 | P50570 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13329898 | 0.84 | KCNH3 (0.47) | TAAR1LMNASLC2A1KCNH3HTT | |
| SCHEMBL12484945 | 0.82 | KCNH3 (0.48) | TAAR1LMNASLC2A1KCNH3TGM2 | |
| SCHEMBL11808230 | 0.79 | ALDH1A1 (0.58) | LMNAKCNH3RAB9ACRHR1KDM4E | |
| SCHEMBL11813251 | 0.79 | KCNH3 (0.59) | KCNH3CRHR1KDM4EMAPTALDH1A1 | |
| SCHEMBL12577313 | 0.77 | KCNH3 (0.57) | KCNH3KDM4EMAPTALDH1A1MEN1 | |
| Pyrimethanil SCHEMBL20817 | 0.75 | SMN1; SMN2 (0.71) | TAAR1LMNASLC2A1KCNH3HTT | |
| SCHEMBL12485871 | 0.75 | KCNH3 (0.49) | TAAR1SLC2A1KCNH3TGM2HTT | |
| SCHEMBL13329949 | 0.75 | DNM2 (0.74) | LMNAKCNH3HTTSMN1; SMN2DNM2 | |
| Pyrimethanil SCHEMBL10664468 | 0.74 | SMN1; SMN2 (0.69) | TAAR1LMNASLC2A1KCNH3HTT | |
| Pyrimethanil SCHEMBL22041985 | 0.74 | SMN1; SMN2 (0.69) | TAAR1LMNASLC2A1KCNH3HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7722893-B2 | Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-05-25 | — | — | US | disclosed |
| US-7722893-B2 | Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-05-25 | — | — | US | disclosed |