Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10671458 | 0.90 | CYP2D6 (0.43) | ALDH1A1TDP1KDM4ESMN1; SMN2ADRB2 | |
| SCHEMBL10670001 | 0.89 | HIF1A (0.47) | HIF1AKDM4EHTR1ABLMADRB2 | |
| SCHEMBL10669677 | 0.80 | ADRB2 (0.30) | HIF1AADRB2LMNAADRB1SLC6A4 | |
| SCHEMBL10569784 | 0.75 | MEN1 (0.46) | CYP2C9ADRB2CYP3A4TSHRLMNA | |
| SCHEMBL10670257 | 0.74 | LMNA (0.48) | ALDH1A1KDM4EADRB2CYP3A4LMNA | |
| SCHEMBL10667097 | 0.72 | HIF1A (0.49) | HIF1AALDH1A1TAAR1TDP1KDM4E | |
| SCHEMBL10670005 | 0.71 | ADRB1 (0.39) | HIF1AKDM4EHTR1ABLMCYP2C9 | |
| SCHEMBL10671463 | 0.70 | ALDH1A1 (0.36) | HIF1AALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL10663271 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TDP1KDM4ESMN1; SMN2ADRB2 | |
| SCHEMBL6458210 | 0.65 | HIF1A (0.61) | HIF1AALDH1A1TAAR1TDP1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4721717-A | α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1988-01-26 | — | — | US | disclosed |