Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.43 |
| ▸ | CCR9 | P51686 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL7500832 | 0.85 | GPR17 (0.41) | ALDH1A1HPGDKDM4ELMNAKMT2A | |
| SCHEMBL6949254 | 0.84 | MEN1 (0.49) | HPGDKDM4ELMNAKMT2ARAB9A | |
| SCHEMBL6953887 | 0.83 | ALOX15 (0.50) | — | |
| SCHEMBL6172566 | 0.81 | PTGS2 (0.58) | — | |
| SCHEMBL8137149 | 0.81 | ABCB11 (0.43) | MAP2K1ALDH1A1KCNMA1CCR9HPGD | |
| SCHEMBL7507568 | 0.81 | KCNMA1 (0.44) | MAP2K1ALDH1A1KCNMA1CCR9HPGD | |
| SCHEMBL7508221 | 0.80 | PARP1 (0.49) | KMT2AMEN1 | |
| SCHEMBL7503753 | 0.80 | ENPP2 (0.50) | HPGDKDM4ELMNAKMT2AMEN1 | |
| SCHEMBL6173326 | 0.80 | PTGS2 (0.46) | MAP2K1ALDH1A1KCNMA1CCR9HPGD | |
| SCHEMBL7506835 | 0.79 | ALOX15 (0.53) | ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001934-B1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6300363-B1 | USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS | PFIZER INC. | 2001-10-09 | — | — | US | disclosed |
| EP-1001934-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999005104-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-02-04 | — | — | WO | disclosed |