Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.57 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3667467 | 0.88 | GRM5 (0.42) | CYP2A6GRM5NPC1RAB9AMAPT | |
| SCHEMBL12068486 | 0.82 | CYP2A6 (0.79) | CYP2A6GRM5PIM1PIM2CYP19A1 | |
| SCHEMBL3672898 | 0.80 | PDE4D (0.38) | CYP2A6GRM5NPC1PKMRAB9A | |
| SCHEMBL14297251 | 0.79 | CYP2A6 (0.73) | CYP2A6GRM5PIM1PIM2CYP19A1 | |
| SCHEMBL21168167 | 0.79 | CYP2A6 (0.73) | CYP2A6GRM5PIM1PIM2CYP19A1 | |
| SCHEMBL18074830 | 0.79 | GRM5 (0.37) | CYP2A6GRM5NPC1RAB9ADCTPP1 | |
| SCHEMBL3666593 | 0.79 | GRM5 (0.38) | CYP2A6GRM5 | |
| SCHEMBL3677987 | 0.78 | ERN1 (0.40) | CYP2A6GRM5TSHRSMN1; SMN2MAPT | |
| SCHEMBL3665776 | 0.78 | GRM5 (0.48) | GRM5DCTPP1 | |
| SCHEMBL3667343 | 0.78 | GRM5 (0.47) | GRM5SMN1; SMN2DCTPP1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465626-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | Eisai Co., Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003047577-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | EISAI CO LTD (JP) | 2003-06-12 | — | — | WO | disclosed |