Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058608 | 1.00 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL9058607 | 1.00 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10546288 | 0.75 | MAPT (0.37) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10546311 | 0.75 | MAPT (0.37) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10546302 | 0.75 | MAPT (0.37) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10546277 | 0.75 | MAPT (0.37) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL11087738 | 0.69 | KDM4E (0.42) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL11087731 | 0.69 | KDM4E (0.42) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10739044 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 | |
| SCHEMBL10739052 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CHRM2OPRM1DDB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996016333-A1 | METHODS FOR SYNTHESIZING DIVERSE COLLECTIONS OF β-LACTAM COMPOUNDS | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1996-05-30 | — | — | WO | disclosed |