Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PEPD | P12955 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9090390 | 1.00 | ACE (0.41) | ACECYP1A2CYP2C19NR1I2REN | |
| SCHEMBL1645702 | 0.93 | ACE (0.39) | ACECYP1A2CYP2C19NR1I2 | |
| SCHEMBL2674102 | 0.89 | CYP1A2 (0.41) | ACECYP1A2CYP2C19RENLMNA | |
| SCHEMBL6516948 | 0.89 | CYP1A2 (0.41) | ACECYP1A2CYP2C19RENLMNA | |
| SCHEMBL5017113 | 0.89 | CYP1A2 (0.41) | ACECYP1A2CYP2C19RENLMNA | |
| SCHEMBL1360593 | 0.84 | CYP1A2 (0.40) | ACECYP1A2CYP2C19NR1I2REN | |
| SCHEMBL1360596 | 0.84 | HTT (0.41) | ACECYP1A2CYP2C19NR1I2REN | |
| SCHEMBL9105160 | 0.84 | HTT (0.41) | ACECYP1A2CYP2C19NR1I2REN | |
| SCHEMBL13545424 | 0.84 | SMN1; SMN2 (0.43) | ACECYP1A2CYP2C19LMNA | |
| SCHEMBL2638664 | 0.82 | NR1I2 (0.55) | ACECYP2C19NR1I2RENLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5561139-A | IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | disclosed |
| US-5530120-A | ANALOGS OF ASCOMYCIN AND FK-506 AS IMMUNOSUPPRESSANTS AND-MODULATORS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-06-25 | — | — | US | disclosed |
| WO-1994021634-A1 | SUBSTITUTED ALICYCLIC-ALIPHATIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |