Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL273609 | 0.85 | ESR1 (0.62) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL11847874 | 0.78 | PRSS1 (0.43) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL9751347 | 0.77 | TDP1 (0.55) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL813539 | 0.77 | TSHR (0.47) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL2863947 | 0.74 | ESR1 (0.62) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL8775686 | 0.74 | KMT2A (0.65) | LMNAMAPK1ESR1SMN1; SMN2TDP1 | |
| SCHEMBL18874940 | 0.74 | TSHR (0.62) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL8084590 | 0.73 | TSHR (0.64) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL11416620 | 0.73 | TSHR (0.78) | TSHRLMNACYP1A2CYP2C19MAPK1 | |
| SCHEMBL27779040 | 0.73 | TDP1 (0.69) | LMNAMAPK1ESR1SMN1; SMN2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| 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 |