Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | ACR | P10323 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP5 | P45974 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL219763 | 0.88 | NOS3 (0.55) | MAPTNPC1RAB9ANOS3NOS1 | |
| SCHEMBL131853 | 0.86 | CYP3A4 (0.50) | MAPTNPC1RAB9ANOS3NOS1 | |
| SCHEMBL182327 | 0.82 | CYP2C9 (0.55) | MAPTNPC1RAB9ANOS3NOS1 | |
| Hydrochloric Acid SCHEMBL5197216 | 0.80 | CYP2C9 (0.53) | MAPTNPC1RAB9ANOS3NOS1 | |
| SCHEMBL7005068 | 0.79 | CYP3A4 (0.44) | MAPTRAB9AMAPK1SMN1; SMN2TDP1 | |
| SCHEMBL13851927 | 0.78 | TSHR (0.69) | MAPTNPC1RAB9ANOS3NOS1 | |
| SCHEMBL8724560 | 0.77 | HPGD (0.48) | MAPTNPC1RAB9ANOS3NOS1 | |
| SCHEMBL12591838 | 0.76 | SMN1; SMN2 (0.59) | MAPTRAB9AMAPK1SMN1; SMN2CYP2C9 | |
| SCHEMBL21934213 | 0.76 | CYP3A4 (0.71) | NOS3NOS1MAPK1SMN1; SMN2TDP1 | |
| SCHEMBL27705454 | 0.75 | CYP3A4 (0.44) | MAPK1TDP1CYP2C9CYP3A4TSHR |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |