Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25137284 | 0.89 | KCNH2 (0.57) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL16834473 | 0.87 | MRGPRX4 (0.50) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL6117260 | 0.86 | CYP1A2 (0.53) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL9993619 | 0.85 | CYP1A2 (0.72) | CYP1A2MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL19837350 | 0.85 | ALDH1A1 (0.50) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL27886031 | 0.85 | MRGPRX4 (0.49) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL2348677 | 0.84 | MRGPRX4 (0.48) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL7671391 | 0.83 | MRGPRX4 (0.52) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL30022926 | 0.83 | MRGPRX4 (0.52) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 | |
| SCHEMBL183978 | 0.83 | MRGPRX4 (0.52) | CYP1A2MRGPRX4PARP1MAPTSMN1; SMN2 |
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-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2004026302-A1 | METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |