Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | SLC6A1 | P30531 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095548 | 1.00 | KMT2A (0.62) | KMT2AALDH1A1SLC6A1CYP1A2CYP2D6 | |
| Nipecotic Acid SCHEMBL8301686 | 0.89 | KMT2A (0.52) | KMT2AALDH1A1SLC6A1CYP1A2CYP2D6 | |
| SCHEMBL9868363 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL10966191 | 0.85 | — | — | |
| SCHEMBL7925377 | 0.83 | SLC6A1 (0.65) | SLC6A1 | |
| SCHEMBL7925381 | 0.83 | SLC6A1 (0.65) | SLC6A1 | |
| SCHEMBL8088614 | 0.83 | ALDH1A1 (0.75) | KMT2AALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL7917401 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7917405 | 0.82 | — | — | |
| SCHEMBL24433074 | 0.81 | L3MBTL1 (0.51) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0862435-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0862435-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997018813-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-05-29 | — | — | WO | disclosed |