Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.48 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743316 | 0.88 | MRGPRX4 (0.60) | MRGPRX4NR4A2MAOBCTSVCTSL | |
| SCHEMBL7654417 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TDP1POLB | |
| SCHEMBL25431505 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1POLBPTGER1 | |
| SCHEMBL31336015 | 0.79 | MAOB (0.58) | ALDH1A1NR4A2TDP1MAOBPOLB | |
| SCHEMBL4943007 | 0.79 | MAOB (0.58) | ALDH1A1NR4A2TDP1MAOBPOLB | |
| SCHEMBL7373666 | 0.77 | ALDH1A1 (0.61) | ALDH1A1NR4A2TDP1MAOBCTSV | |
| SCHEMBL20830738 | 0.77 | NR4A2 (0.74) | MRGPRX4ALDH1A1NR4A2TDP1MAOB | |
| SCHEMBL27711541 | 0.77 | PTGER4 (0.55) | MRGPRX4ALDH1A1NR4A2MAOBPTGER4 | |
| SCHEMBL4200621 | 0.76 | MAOB (0.71) | ALDH1A1NR4A2TDP1MAOB | |
| SCHEMBL31354687 | 0.76 | TDP1 (0.62) | ALDH1A1TDP1POLB |
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-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| 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 |