Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2794365 | 0.92 | TNFRSF1A (0.53) | TNFRSF1ARAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7842474 | 0.90 | TNFRSF1A (0.64) | TNFRSF1ARAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL893710 | 0.85 | CYP1B1 (0.61) | TNFRSF1ARAB9AALDH1A1MAPK1TDP1 | |
| 4-Fluoro Chalcone SCHEMBL657887 | 0.81 | TNFRSF1A (0.82) | TNFRSF1ARAB9AALDH1A1TDP1MAPT | |
| 4-Fluoro Chalcone SCHEMBL10363601 | 0.81 | TNFRSF1A (0.82) | TNFRSF1ARAB9AALDH1A1TDP1MAPT | |
| SCHEMBL6707524 | 0.81 | LTA4H (0.58) | TNFRSF1ASMN1; SMN2MAPTPTGS2CYP1A2 | |
| 4-Fluoro Chalcone SCHEMBL657888 | 0.81 | TNFRSF1A (0.82) | TNFRSF1ARAB9AALDH1A1TDP1MAPT | |
| SCHEMBL4414022 | 0.80 | MAPT (0.68) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8484185 | 0.77 | LTA4H (0.58) | TNFRSF1ARAB9AMAPTPTGS2CYP1A2 | |
| SCHEMBL5950310 | 0.76 | HSD11B1 (0.52) | TNFRSF1ARAB9ANPC1SMN1; SMN2PLA2G7 |
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-6020347-A | 4-substituted-4-piperidine carboxamide derivatives | MERCK & CO., INC. (US) | 2000-02-01 | — | — | US | disclosed |
| WO-1999025685-A1 | 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 1999-05-27 | — | — | WO | disclosed |