Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637254 | 0.87 | AKR1C3 (0.55) | ALDH1A1GAAMAPTAKR1C3CDC25B | |
| SCHEMBL688471 | 0.84 | ALDH1A1 (0.56) | NPC1ALDH1A1SMN1; SMN2MAPTALOX15 | |
| Benzene SCHEMBL29290216 | 0.84 | ALDH1A1 (0.56) | NPC1ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL4305925 | 0.82 | ATM (0.53) | ALDH1A1GAAMAPTRAB9AAKR1C3 | |
| SCHEMBL11812944 | 0.82 | FFAR1 (0.44) | NPC1ALDH1A1SMN1; SMN2MAPTALOX15 | |
| Hydrochloric Acid SCHEMBL10490986 | 0.82 | ALDH1A1 (0.54) | NPC1ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL3468799 | 0.82 | NPC1 (0.58) | NPC1ALDH1A1GAAMAPTTSHR | |
| SCHEMBL29629450 | 0.82 | NPC1 (0.58) | NPC1ALDH1A1GAAMAPTTSHR | |
| SCHEMBL9403551 | 0.82 | ALDH1A1 (0.48) | NPC1ALDH1A1SMN1; SMN2ALOX15TSHR | |
| SCHEMBL13444936 | 0.81 | AKR1C3 (0.59) | NPC1ALDH1A1SMN1; SMN2GAAMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372564-B | 2-amino-4-acyl pyrrole compound and preparation method thereof | 嘉兴学院 | 2021-07-06 | — | — | CN | claimed |
| CN-110372564-B | 2-amino-4-acyl pyrrole compound and preparation method thereof | 嘉兴学院 | 2021-07-06 | — | — | CN | disclosed |
| CN-101522618-A | 3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2009-09-02 | — | — | CN | disclosed |
| US-20020161173-A1 | Polymer, process for production, composition for film formation containing the same, method of film formation, and insulating film | JSR CORPORATION (JP) | 2002-10-31 | — | — | US | disclosed |
| EP-0834499-B1 | Process for the preparation of aromatic vinyl compounds | DAINIPPON INK & CHEMICALS (JP) | 2001-07-25 | — | — | EP | disclosed |
| EP-0834499-A1 | Process for the preparation of aromatic vinyl compounds | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-4178430-A | POLYACETYLENES | HUGHES AIRCRAFT COMPANY (US) | 1979-12-11 | — | — | US | disclosed |