Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.49 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.49 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28924976 | 0.89 | KMT2A (0.52) | NPC1RXRATHRATHRBMAPT | |
| SCHEMBL7104109 | 0.87 | THRB (0.51) | NPC1SGMS2PTGER1PTGER4PTGER3 | |
| SCHEMBL21647816 | 0.86 | LRRK2 (0.47) | NPC1PTGER1MAPTL3MBTL1FOLH1 | |
| SCHEMBL10717803 | 0.86 | L3MBTL1 (0.50) | NPC1SGMS2PTGER1PTGER4PTGER3 | |
| SCHEMBL27491769 | 0.84 | LRRK2 (0.50) | PTGER1L3MBTL1FOLH1 | |
| SCHEMBL4602976 | 0.83 | HTR1A (0.50) | NPC1SGMS2PTGER1PTGER4PTGER3 | |
| SCHEMBL28820774 | 0.82 | ABCB1 (0.54) | HTTMAPT | |
| SCHEMBL29413361 | 0.82 | THRB (0.56) | THRATHRBMAPTMAPK1TDP1 | |
| SCHEMBL3841280 | 0.82 | THRB (0.56) | THRATHRBMAPTMAPK1TDP1 | |
| SCHEMBL28010934 | 0.82 | NR4A1 (0.60) | NPC1THRBGAAMAPTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103958474-A | (hetero) arylcyclopropylamine compounds as LSD1 inhibitors | ORYZON GENOMICS SA | 2014-07-30 | — | — | CN | disclosed |
| EP-1697339-A1 | 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063729-A1 | 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-14 | — | — | WO | disclosed |
| CN-1068817-A | INDOLE DERIVATIVES | PFIZER (US) | 1993-02-10 | — | — | CN | disclosed |