Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30712345 | 0.81 | MGLL (0.47) | MGLLALDH1A1L3MBTL1POLBNPBWR1 | |
| SCHEMBL5906387 | 0.81 | MGLL (0.44) | NPC1RAB9APAX8MGLLALDH1A1 | |
| SCHEMBL5906032 | 0.80 | ALDH1A1 (0.46) | MGLLALDH1A1L3MBTL1POLBMAPT | |
| SCHEMBL29172956 | 0.79 | ALDH1A1 (0.45) | NPC1RAB9AMGLLALDH1A1L3MBTL1 | |
| SCHEMBL461726 | 0.78 | ALDH1A1 (0.46) | NPC1RAB9APAX8ALDH1A1POLB | |
| SCHEMBL5142800 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9AALDH1A1CYP1A2POLB | |
| SCHEMBL10439124 | 0.78 | NPC1 (0.55) | NPC1RAB9APAX8HSP90AA1MGLL | |
| SCHEMBL5906223 | 0.76 | HTT (0.55) | NPC1RAB9AALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL5905967 | 0.73 | CYP1A2 (0.48) | NPC1RAB9APAX8HSP90AA1MGLL | |
| SCHEMBL28471418 | 0.72 | ALDH1A1 (0.39) | NPC1RAB9APAX8MGLLALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640076-B1 | TRIAZOLINONE RING FORMATION IN TERT-BUTANOL | FMC CORP (US) | 1997-11-26 | — | — | EP | disclosed |
| EP-0490936-B1 | PRODUCTION OF TRIAZOLINONES | FMC CORP (US) | 1996-10-23 | — | — | EP | disclosed |
| US-5543541-A | USING ARYL HYDRAZINE; CHEMICAL INTERMEDIATE FOR HERBICIDE | FMC CORPORATION (US) | 1996-08-06 | — | — | US | disclosed |
| EP-0640076-A4 | TRIAZOLINONE RING FORMATION IN TERT-BUTANOL. | FMC CORP (US) | 1995-04-12 | — | — | EP | disclosed |
| EP-0640076-A1 | TRIAZOLINONE RING FORMATION IN TERT-BUTANOL | FMC CORPORATION (US) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023382-A1 | TRIAZOLINONE RING FORMATION IN TERT-BUTANOL | FMC CORPORATION (US) | 1993-11-25 | — | — | WO | disclosed |