Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4959455 | 0.88 | CYP1A2 (0.42) | SMN1; SMN2NPSR1CYP1A2CYP2D6PKM | |
| SCHEMBL4957415 | 0.85 | TSHR (0.40) | PNMTSMN1; SMN2NPSR1TACR1KMT2A | |
| SCHEMBL4960151 | 0.85 | PNMT (0.40) | PNMTSMN1; SMN2NPSR1CYP1A2CYP2D6 | |
| SCHEMBL26334400 | 0.75 | PNMT (0.50) | PNMTSMN1; SMN2NPSR1CYP1A2CYP2D6 | |
| SCHEMBL11947666 | 0.75 | PNMT (0.50) | PNMTSMN1; SMN2NPSR1CYP1A2CYP2D6 | |
| SCHEMBL4959934 | 0.74 | CYP1A2 (0.38) | SMN1; SMN2NPSR1CYP1A2CYP2D6PKM | |
| SCHEMBL11293974 | 0.74 | SLC6A4 (0.37) | CYP1A2CYP2D6KMT2AMEN1RAB9A | |
| SCHEMBL4958622 | 0.73 | PSEN1 (0.37) | SMN1; SMN2CYP1A2CYP2D6KMT2AMEN1 | |
| SCHEMBL4958211 | 0.71 | CYP1A2 (0.38) | SMN1; SMN2NPSR1CYP1A2CYP2D6PKM | |
| SCHEMBL4959933 | 0.71 | CYP1A2 (0.41) | SMN1; SMN2NPSR1CYP1A2CYP2D6PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |