Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.50 |
| ▸ | EDNRA | P25101 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9046270 | 0.80 | CA12 (0.41) | NPC1RAB9APDCD1CD274CA12 | |
| SCHEMBL9754476 | 0.80 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1PDCD1CD274 | |
| SCHEMBL9215334 | 0.75 | CYP1A2 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9045391 | 0.72 | PTGDR2 (0.39) | NPC1RAB9AHSD17B10CA12CA1 | |
| SCHEMBL9053287 | 0.72 | CYP2C9 (0.40) | CYP1A2CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL4002652 | 0.69 | CA12 (0.69) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL30536599 | 0.69 | CA12 (0.69) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL9754474 | 0.69 | CYP2C9 (0.44) | CYP1A2CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL9129900 | 0.69 | LMNA (0.46) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9047372 | 0.68 | GCK (0.41) | — |
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-5362876-A | Intermediates for herbicides or plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-08 | — | — | US | disclosed |
| US-5308828-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1994-05-03 | — | — | US | disclosed |