Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | DUT | P33316 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6410046 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL5336980 | 0.68 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL10895925 | 0.67 | KDM4E (0.33) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6432978 | 0.65 | ALDH1A1 (0.42) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| E1501 SCHEMBL30579458 | 0.64 | ALDH1A1 (0.96) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| E1501 SCHEMBL27261610 | 0.64 | ALDH1A1 (0.96) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| SCHEMBL2082725 | 0.64 | CHRM2 (0.54) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| E1501 SCHEMBL14031569 | 0.62 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| E1501 SCHEMBL43745 | 0.62 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| E1501 SCHEMBL901210 | 0.62 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPK1MAPTHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090011-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1090011-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0981728-A2 | RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS | Merck & Co., Inc. (US) | 2000-03-01 | — | — | EP | disclosed |
| WO-2000001701-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999000654-A2 | RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS | MERCK & CO., INC. (US) | 1999-01-07 | — | — | WO | disclosed |