Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159531 | 0.86 | SMN1; SMN2 (0.41) | ALDH1A1LMNASMN1; SMN2RAB9AMAPT | |
| SCHEMBL6159139 | 0.86 | RAB9A (0.48) | ALDH1A1NPSR1LMNASMN1; SMN2RAB9A | |
| SCHEMBL6161054 | 0.84 | HPGD (0.49) | ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD | |
| SCHEMBL8516079 | 0.78 | CES2 (0.44) | ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E | |
| SCHEMBL18321825 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNASMN1; SMN2RAB9AMAPT | |
| SCHEMBL5846634 | 0.75 | LMNA (0.44) | ALDH1A1NPSR1LMNASMN1; SMN2RAB9A | |
| SCHEMBL5205772 | 0.75 | LMNA (0.46) | ALDH1A1LMNASMN1; SMN2RAB9AMAPT | |
| SCHEMBL8512829 | 0.70 | SMN1; SMN2 (0.42) | ALDH1A1LMNASMN1; SMN2RAB9AMAPT | |
| SCHEMBL7631543 | 0.70 | TDP1 (0.44) | ALDH1A1NPSR1LMNASMN1; SMN2RAB9A | |
| SCHEMBL4656131 | 0.70 | ALDH1A1 (0.37) | ALDH1A1NPSR1LMNAGAATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458706-A4 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2005-06-08 | — | — | EP | disclosed |
| EP-1458706-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ Corp. (KR) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003055875-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP. (KR) | 2003-07-10 | — | — | WO | disclosed |