Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4729550 | 0.90 | NPC1 (0.38) | CYP3A4S1PR1CRHR1KMT2AMAPT | |
| SCHEMBL4731813 | 0.84 | CYP3A4 (0.45) | CYP3A4CRHR1ALDH1A1KMT2AFLT1 | |
| SCHEMBL1961753 | 0.82 | CYP3A4 (0.38) | CYP3A4S1PR1CRHR1ALDH1A1KMT2A | |
| SCHEMBL4157913 | 0.80 | FLT1 (0.39) | CYP3A4ALDH1A1KMT2AFLT1FLT4 | |
| SCHEMBL12578110 | 0.77 | CYP3A4 (0.42) | CYP3A4S1PR1CRHR1ALDH1A1KMT2A | |
| SCHEMBL4729162 | 0.75 | CCR2 (0.36) | CYP3A4ALDH1A1FLT1FLT4KDR | |
| SCHEMBL14223018 | 0.74 | KDM4E (0.37) | S1PR1KMT2ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL1961431 | 0.74 | CACNA2D1 (0.41) | ALDH1A1CYP1A2CYP2C19KDM4ERAB9A | |
| SCHEMBL1958427 | 0.73 | CYP2E1 (0.41) | CYP3A4S1PR1CRHR1ALDH1A1KMT2A | |
| SCHEMBL4730786 | 0.73 | NPC1 (0.36) | CYP3A4ALDH1A1FLT1FLT4KDR |
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-2008043791-A2 | THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008043791-A2 | THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-17 | — | — | WO | disclosed |