Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RGS12 | O14924 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5268102 | 0.93 | CCR2 (0.48) | AKR1C3AKR1C2CCR2PLA2G2APTGDR2 | |
| SCHEMBL5267237 | 0.86 | AKR1C3 (0.73) | AKR1C3AKR1C2MEN1LMNACYP1A2 | |
| SCHEMBL5267381 | 0.84 | CCR2 (0.54) | CCR2PTGS2ABCB11 | |
| Acetic Acid SCHEMBL3967081 | 0.82 | CCR2 (0.63) | AKR1C3AKR1C2CCR2MEN1RGS12 | |
| SCHEMBL9958841 | 0.82 | HDAC1 (0.55) | AKR1C3AKR1C2CCR2MEN1LMNA | |
| SCHEMBL6085520 | 0.81 | CCR2 (0.56) | AKR1C3AKR1C2CCR2MEN1RGS12 | |
| SCHEMBL5266834 | 0.78 | AKR1C3 (0.73) | AKR1C3AKR1C2MEN1LMNACYP1A2 | |
| SCHEMBL5266160 | 0.77 | AKR1C3 (0.72) | AKR1C3AKR1C2MEN1LMNACYP1A2 | |
| SCHEMBL5267225 | 0.77 | AKR1C3 (0.74) | AKR1C3AKR1C2MEN1LMNACYP1A2 | |
| SCHEMBL5269846 | 0.77 | AKR1C3 (0.70) | AKR1C3AKR1C2MEN1LMNACYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1225882-B1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2007-10-17 | — | — | EP | disclosed |
| EP-1225882-A4 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2004-12-29 | — | — | EP | disclosed |
| EP-1225882-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | Vanderbilt University (US) | 2002-07-31 | — | — | EP | disclosed |
| US-6306890-B1 | COMPOUNDS FOR INHIBITING CYCLOOXYGENASE | VANDERBILT UNIVERSITY | 2001-10-23 | — | — | US | disclosed |
| WO-2001015686-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | VANDERBILT UNIVERSITY (US) | 2001-03-08 | — | — | WO | disclosed |