Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11252945 | 0.77 | DRD2 (0.48) | DRD2KCNH2ALDH1A1CYP3A4TSHR | |
| SCHEMBL11251027 | 0.76 | HTR2C (0.39) | DRD2ALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL11268503 | 0.70 | DRD2 (0.39) | DRD2ALDH1A1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL11256220 | 0.70 | EPHX2 (0.41) | DRD2KCNH2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL11252930 | 0.66 | CLK1 (0.41) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL11266562 | 0.65 | DRD2 (0.39) | DRD2KCNH2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL11267504 | 0.65 | DRD2 (0.41) | DRD2ALDH1A1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL11265320 | 0.65 | HTR2C (0.41) | DRD2ALDH1A1MAPTHPGDTSHR | |
| SCHEMBL11257677 | 0.65 | DRD2 (0.40) | DRD2KCNH2ALDH1A1HPGDCYP3A4 | |
| Water SCHEMBL11255617 | 0.64 | DRD2 (0.39) | DRD2KCNH2ALDH1A1HPGDCYP3A4 |
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-4344946-A | ANTIARTHRITICS, ANTIRHEUMATICS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-08-17 | — | — | US | disclosed |