Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6168370 | 0.94 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6169624 | 0.93 | ALOX15 (0.47) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6171751 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6168601 | 0.88 | KMT2A (0.48) | ALDH1A1CYP1A2HPGDCYP2C19ELANE | |
| SCHEMBL6169500 | 0.87 | MAPT (0.44) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6171922 | 0.87 | L3MBTL1 (0.41) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6172066 | 0.87 | ALOX15 (0.48) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6168523 | 0.85 | ALOX15 (0.45) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6173631 | 0.84 | ALOX15 (0.46) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL6171092 | 0.83 | ALOX15 (0.49) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 |
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-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |