Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL4542699 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL8892945 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL7744577 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL250230 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL1571637 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL30449036 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL13735691 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL13735685 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL28179357 | 0.72 | CYP1A2 (0.43) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL17085614 | 0.70 | L3MBTL1 (0.35) | ALDH1A1CYP1A2TSHRDDB1CRBN |
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 |