Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662997 | 0.86 | ALDH1A1 (0.70) | ALDH1A1TSHRTDP1KDM4EAOX1 | |
| SCHEMBL26185782 | 0.86 | TRPA1 (0.58) | ALDH1A1TSHRTRPA1AOX1TUBB1 | |
| SCHEMBL27903606 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRTRPA1TDP1KDM4E | |
| SCHEMBL11287749 | 0.81 | TRPA1 (0.38) | ALDH1A1TSHRTRPA1TDP1KDM4E | |
| SCHEMBL4146840 | 0.80 | MAPT (0.57) | ALDH1A1TSHRTDP1KDM4EAOX1 | |
| SCHEMBL17494782 | 0.80 | JUN (0.43) | ALDH1A1TSHRTRPA1KDM4EAOX1 | |
| SCHEMBL33786 | 0.78 | TRPA1 (0.68) | ALDH1A1TSHRTRPA1TDP1KDM4E | |
| SCHEMBL29778007 | 0.78 | TRPA1 (0.68) | ALDH1A1TSHRTRPA1TDP1KDM4E | |
| SCHEMBL5463775 | 0.77 | CYP1A1 (0.67) | ALDH1A1TSHRTRPA1TUBB1TTR | |
| SCHEMBL5463782 | 0.77 | CYP1A1 (0.67) | ALDH1A1TSHRTRPA1TUBB1TTR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782977-A1 | CYCLOPROPANATION METHOD AND REAGENT | Fundació Privada Institut Català d'Investigació Química (ICIQ) (ES) | 2021-02-24 | — | — | EP | disclosed |
| EP-3782977-A1 | CYCLOPROPANATION METHOD AND REAGENT | Fundació Privada Institut Català d'Investigació Química (ICIQ) (ES) | 2021-02-24 | — | — | EP | disclosed |
| EP-0665844-B1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2000-09-06 | — | — | EP | disclosed |
| US-5604241-A | Substituted benzylaminoquinuclidines as substance P antagonists | PFIZER INC. (US) | 1997-02-18 | — | — | US | disclosed |
| EP-0665844-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-08-09 | — | — | EP | disclosed |
| WO-1994008997-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-04-28 | — | — | WO | disclosed |
| US-4315089-A | Polymers containing aromatic aldehyde groups | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-09 | — | — | US | disclosed |
| EP-0011725-A1 | Polymers containing aromatic aldehyde groups and process for the preparation of such polymers | BASF Aktiengesellschaft (DE) | 1980-06-11 | — | — | EP | disclosed |