Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9438550 | 0.83 | CYP2C19 (0.47) | CYP2C19HIF1ACYP1A2MAPTKMT2A | |
| SCHEMBL2672155 | 0.81 | CYP2C19 (0.42) | CYP2C19HIF1ACYP1A2ALDH1A1TSHR | |
| SCHEMBL1604732 | 0.81 | CYP2C19 (0.59) | CYP2C19HIF1ACYP1A2MIFAKR1B1 | |
| SCHEMBL28810886 | 0.81 | CYP2C19 (0.59) | CYP2C19HIF1ACYP1A2MIFAKR1B1 | |
| SCHEMBL5159280 | 0.78 | CYP2C19 (0.55) | CYP2C19HIF1ACYP1A2MAPTKMT2A | |
| SCHEMBL374784 | 0.76 | CYP2C19 (0.57) | CYP2C19HIF1ACYP1A2MIFAKR1B1 | |
| SCHEMBL11074278 | 0.75 | CYP2C19 (0.43) | CYP2C19HIF1ACYP1A2MAPTKMT2A | |
| SCHEMBL12314429 | 0.75 | CYP2C19 (0.52) | CYP2C19HIF1AALDH1A1TSHROPRM1 | |
| SCHEMBL31021330 | 0.75 | CYP2C19 (0.52) | CYP2C19HIF1AALDH1A1TSHROPRM1 | |
| SCHEMBL503257 | 0.75 | MIF (0.65) | CYP2C19HIF1ACYP1A2MIFAKR1B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040072212-A1 | Recognition-driven alkylation of biopolymers | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2004-04-15 | — | — | US | disclosed |