Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL16958372 | 0.88 | MEN1 (0.43) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL16958480 | 0.87 | NPC1 (0.42) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL16953772 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL2098846 | 0.80 | HPGD (0.48) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16962064 | 0.80 | NPC1 (0.39) | ALDH1A1KDM4EMAPTMPONPC1 | |
| SCHEMBL16957985 | 0.79 | NPC1 (0.44) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL16954680 | 0.79 | MCHR1 (0.41) | ALDH1A1KDM4EMAPTSMN1; SMN2MCHR1 | |
| SCHEMBL16953281 | 0.79 | MEN1 (0.34) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL16958766 | 0.78 | CYP2A6 (0.36) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL9310453 | 0.78 | CHRM2 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2MCHR1 |
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 |