Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.65 |
| ▸ | BACE1 | P56817 | 2/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL895673 | 0.90 | TAAR1 (0.79) | MAOBTAAR1CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL3841387 | 0.89 | MAOB (0.79) | MAOBTAAR1BACE1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL1027480 | 0.88 | TAAR1 (0.77) | MAOBTAAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL3285142 | 0.85 | TAAR1 (0.77) | MAOBTAAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL7743344 | 0.84 | BACE1 (0.55) | MAOBTAAR1BACE1CHRM2CHRM1 | |
| SCHEMBL27842525 | 0.83 | TAAR1 (0.74) | MAOBTAAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL3285178 | 0.83 | TAAR1 (0.74) | MAOBTAAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL15138999 | 0.82 | MAOA (0.50) | MAOBTAAR1AGXTCYP1A2CYP2D6 | |
| SCHEMBL17779986 | 0.81 | BACE1 (0.62) | MAOBTAAR1BACE1CHRM2CHRM1 | |
| SCHEMBL14382711 | 0.81 | BACE1 (0.58) | MAOBTAAR1BACE1CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |