Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28025209 | 0.86 | SLC6A2 (0.41) | HPGDSLC6A2SLC6A4ADRB2HTR1A | |
| SCHEMBL16078153 | 0.86 | SLC6A2 (0.41) | HPGDSLC6A2SLC6A4ADRB2HTR1A | |
| SCHEMBL27786426 | 0.86 | ACHE (0.41) | ALDH1A1CHEK1 | |
| SCHEMBL12070332 | 0.81 | HCRTR2 (0.40) | SLC6A2SLC6A4ADRB2HTR1AHTR2A | |
| SCHEMBL754567 | 0.81 | HCRTR2 (0.40) | SLC6A2SLC6A4ADRB2HTR1AHTR2A | |
| SCHEMBL1266666 | 0.81 | HCRTR2 (0.40) | SLC6A2SLC6A4ADRB2HTR1AHTR2A | |
| SCHEMBL22776149 | 0.81 | CHEK1 (0.45) | HPGDSLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL734651 | 0.81 | CHEK1 (0.45) | HPGDSLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL4146870 | 0.81 | CHEK1 (0.45) | HPGDSLC6A2SLC6A4SLC6A3CHEK1 | |
| Hydrochloric Acid SCHEMBL19692370 | 0.80 | CHEK1 (0.44) | HPGDSLC6A2SLC6A4SLC6A3CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5561140-A | IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | disclosed |
| US-5530119-A | IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1996-06-25 | — | — | US | disclosed |
| EP-0690713-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994021254-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |