Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 3/20 | 0.40 |
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1242690 | 0.83 | SMYD3 (0.53) | CYP1A2CREBBPPSMB8XDHULK1 | |
| SCHEMBL1244066 | 0.76 | CREBBP (0.39) | CYP1A2CREBBPPSMB8XDHULK1 | |
| SCHEMBL4808608 | 0.74 | CREBBP (0.56) | CYP1A2CREBBPPSMB8XDHULK1 | |
| SCHEMBL989408 | 0.73 | DAO (0.65) | CYP1A2CREBBPPSMB8XDHULK1 | |
| SCHEMBL4507106 | 0.72 | CREBBP (0.53) | CYP1A2CREBBPPSMB8XDHULK1 | |
| SCHEMBL6514324 | 0.68 | RXFP1 (0.53) | CYP1A2XDHGLAGAAKDM4E | |
| SCHEMBL3558341 | 0.68 | KDM4E (0.52) | GLAGAASMYD3KDM4ENPC1 | |
| SCHEMBL1233351 | 0.67 | KDM4E (0.51) | GLAGAAKDM4ENPC1LMNA | |
| SCHEMBL15865616 | 0.66 | CYP1A2 (0.62) | CYP1A2CREBBPXDHULK1GLA | |
| SCHEMBL1245121 | 0.66 | ALOX15 (0.55) | GLAGAAKDM4ENPC1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6479527-B1 | Bicyclic pyrrole derivatives as MCP-1 inhibitors | ASTRAZENECA UK LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |