Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723918 | 1.00 | DHODH (0.59) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL10861646 | 0.90 | DHODH (0.72) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9506524 | 0.89 | DHODH (0.60) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9506518 | 0.89 | DHODH (0.60) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9650925 | 0.86 | DHODH (0.80) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9650926 | 0.86 | DHODH (0.80) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9652064 | 0.85 | NPSR1 (0.63) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9652061 | 0.85 | NPSR1 (0.63) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9506566 | 0.84 | DHODH (0.60) | DHODHGAACYP3A4CYP2D6LMNA | |
| SCHEMBL9506562 | 0.84 | DHODH (0.60) | DHODHGAACYP3A4CYP2D6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5089498-A | Gastrointestinal disorders | SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) | 1992-02-18 | — | — | US | disclosed |
| EP-0339768-A1 | 4-Amino-3-acylquinoline derivatives, and their use as inhibitors of gastric secretion | SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) | 1989-11-02 | — | — | EP | disclosed |