Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1117719 | 0.88 | CYP2D6 (0.54) | CYP2D6KMT2ACYP1A2ALOX15CYP2C19 | |
| SCHEMBL8256069 | 0.88 | CYP2D6 (0.54) | CYP2D6KMT2ACYP1A2ALOX15CYP2C19 | |
| SCHEMBL17743413 | 0.85 | CYP2D6 (0.52) | CYP2D6KMT2ACYP1A2ALOX15CYP2C19 | |
| SCHEMBL1366389 | 0.80 | — | — | |
| SCHEMBL6409398 | 0.78 | GABRR1 (0.46) | CYP2D6KMT2AKDM4EMAPTATM | |
| Hydrochloric Acid SCHEMBL3228194 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28141684 | 0.78 | — | — | |
| SCHEMBL4746646 | 0.78 | GABRR1 (0.46) | CYP2D6KMT2AKDM4EMAPTATM | |
| Water SCHEMBL28310277 | 0.78 | — | — | |
| SCHEMBL6409392 | 0.78 | GABRR1 (0.46) | CYP2D6KMT2AKDM4EMAPTATM |
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 6 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 |
| WO-2000016778-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-03-30 | — | — | WO | 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 |