Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4542699 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL8891392 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL17085613 | 0.78 | L3MBTL1 (0.35) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL17085614 | 0.78 | L3MBTL1 (0.35) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL12541050 | 0.76 | CYP1A2 (0.37) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL18606331 | 0.73 | POLB (0.41) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL3546415 | 0.73 | POLB (0.41) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL18606334 | 0.73 | POLB (0.41) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL7537535 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 | |
| SCHEMBL19533902 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP1A2TSHRCHRM2OPRM1 |
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-5631259-A | PURINE BASE DERIVATIVES FOR NUCLEOSIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-20 | — | — | US | disclosed |