Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9719492 | 0.94 | ADRB2 (0.45) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL223099 | 0.94 | ADRB2 (0.45) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL8650097 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL7630212 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL7639823 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL11595631 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL11594064 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL9719487 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| SCHEMBL8651332 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 | |
| Bromide SCHEMBL28984559 | 0.91 | ADRB2 (0.43) | ALDH1A1TP53ADRB2ADRB1ADRB3 |
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-0516982-B1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL IND LTD (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |