Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26885228 | 0.74 | NPC1 (0.65) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL26885249 | 0.72 | RAB9A (0.57) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL26838909 | 0.71 | POLB (0.63) | NPC1RAB9AKMT2APOLBMEN1 | |
| SCHEMBL18257156 | 0.71 | KDR (0.74) | NPC1RAB9AKMT2APOLBMEN1 | |
| SCHEMBL7459262 | 0.71 | EPHX1 (0.54) | EPHX1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL26885230 | 0.70 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL30735621 | 0.70 | RAB9A (0.76) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL3679744 | 0.70 | RAB9A (0.76) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL21524564 | 0.70 | ALDH1A1 (0.70) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7681327 | 0.70 | EPHX1 (0.58) | EPHX1NPC1RAB9AKMT2AMEN1 |
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-6472349-B1 | Pyridine-2,3-dicarboxylic acid diamides | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-29 | — | — | US | disclosed |