Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956768 | 0.90 | MEN1 (0.38) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL16958260 | 0.86 | CYP2A6 (0.38) | CYP2A6NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL16954628 | 0.82 | CYP2A6 (0.35) | CYP2A6NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL16958573 | 0.81 | NPC1 (0.41) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL16955017 | 0.80 | MCHR1 (0.37) | CYP2A6ALDH1A1MAPTMCHR1KMT2A | |
| SCHEMBL16951221 | 0.80 | HTR1B (0.37) | CYP2A6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL16951235 | 0.78 | MCHR1 (0.36) | CYP2A6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL16954204 | 0.78 | L3MBTL1 (0.36) | CYP2A6NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL16955705 | 0.78 | ALDH1A1 (0.38) | CYP2A6NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL16959102 | 0.78 | VEGFA (0.40) | ALDH1A1MAPTMCHR1PRMT5WDR77 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |