Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21647783 | 0.72 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AHPGDCES1 | |
| Trifluoroacetic Acid SCHEMBL7452391 | 0.72 | NPC1 (0.70) | SMN1; SMN2NPC1RAB9AHPGDMAPT | |
| SCHEMBL9230088 | 0.71 | MEN1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19KCNH2 | |
| Trifluoroacetic Acid SCHEMBL7448775 | 0.70 | PLA2G4A (0.44) | CES1ALDH1A1 | |
| Benzylamine SCHEMBL5450068 | 0.70 | LOXL2 (0.61) | SMN1; SMN2CES1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6491209 | 0.68 | LTA4H (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL5892868 | 0.67 | CES1 (0.62) | SMN1; SMN2CES1HIF1AMEN1KMT2A | |
| Phenylacetic Acid SCHEMBL27489228 | 0.67 | AKR1B1 (0.74) | CES1LMNAHTTGAA | |
| SCHEMBL855209 | 0.66 | KMT2A (0.38) | KDM4ESMN1; SMN2NPC1RAB9ACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL20479965 | 0.65 | PTPRA (0.47) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |
| WO-2001027096-A1 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | TULARIK LIMITED (GB) | 2001-04-19 | — | — | WO | disclosed |