Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.35 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736694 | 0.84 | RARB (0.41) | SLC6A2SLC6A4ACACBRARB | |
| SCHEMBL5735318 | 0.83 | FFAR1 (0.44) | SLC6A2SLC6A4FFAR1HTR2A | |
| SCHEMBL7970475 | 0.81 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3FFAR1 | |
| SCHEMBL5737092 | 0.80 | MMP13 (0.42) | KMT2AACACBLMNAESR1RARB | |
| SCHEMBL5736007 | 0.75 | RARB (0.39) | SLC6A2SLC6A4ACACBRARB | |
| SCHEMBL7711976 | 0.74 | ACACB (0.35) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL5735209 | 0.72 | MMP13 (0.39) | SLC6A2SLC6A4SLC6A3KMT2AACACB | |
| SCHEMBL7980972 | 0.72 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6427623 | 0.70 | TBXAS1 (0.44) | ACACBLMNA | |
| SCHEMBL4516378 | 0.70 | ACACB (0.34) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 |
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-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |