Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12698522 | 0.91 | CYP1A2 (0.56) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL4450756 | 0.88 | KDM4E (0.48) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL13958279 | 0.81 | MIF (0.40) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL12698437 | 0.78 | MAOA (0.51) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL4450658 | 0.76 | ESR1 (0.42) | ESR1ESR2MAOAMAOBPRKCI | |
| SCHEMBL3936675 | 0.74 | ESRRB (0.51) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL10401208 | 0.72 | LMNA (0.66) | CYP3A4CYP1A2CYP2C19PRKD1ALDH1A1 | |
| SCHEMBL4450099 | 0.72 | ESR1 (0.36) | ALDH1A1LMNAESR1ESR2KDM4E | |
| SCHEMBL13958284 | 0.71 | ESR1 (0.35) | TP53ESR1ESR2MAPTCYP2C9 | |
| SCHEMBL784291 | 0.71 | MAOB (0.59) | ESR1ESR2MAOAMAOBPRKCI |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012040924-A1 | FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |