Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18130385 | 0.94 | ALDH1A1 (0.48) | ALDH1A1ADRB2KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL5950971 | 0.87 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL1067135 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1SMN1; SMN2MEN1 | |
| SCHEMBL344691 | 0.81 | TSHR (0.53) | ALDH1A1ADRB2KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL17036647 | 0.79 | ALDH1A1 (0.48) | ALDH1A1ADRB2KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL67905 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3 | |
| SCHEMBL454478 | 0.77 | ALDH1A1 (0.35) | ALDH1A1KDM4ETDP1SMN1; SMN2CYP1A2 | |
| SCHEMBL14557167 | 0.77 | KDM4E (0.52) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL345340 | 0.77 | TSHR (0.57) | ALDH1A1ADRB2KDM4ETDP1TSHR | |
| SCHEMBL17036668 | 0.77 | DGKA (0.44) | ALDH1A1ADRB2KDM4ETDP1HRH3 |
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-9598446-B2 | Amino compounds for treatment of complement mediated disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-21 | — | — | US | disclosed |