Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29628639 | 0.84 | CYP2D6 (0.67) | CYP2D6SMN1; SMN2PTGS2KDM4EMAPK1 | |
| SCHEMBL11255697 | 0.82 | AKR1C3 (0.50) | CYP2D6POLBSMN1; SMN2TDP1PTGS2 | |
| SCHEMBL6250974 | 0.77 | AKR1C3 (0.46) | CYP2D6SMN1; SMN2KMT2AAKR1C3AKR1C2 | |
| SCHEMBL7402868 | 0.77 | AKR1C3 (0.46) | CYP2D6SMN1; SMN2KMT2AAKR1C3AKR1C2 | |
| SCHEMBL28136307 | 0.76 | MAPT (0.54) | POLBSMN1; SMN2TDP1KDM4EMAPK1 | |
| SCHEMBL1813558 | 0.75 | THRB (0.54) | CYP2D6POLBSMN1; SMN2TDP1KDM4E | |
| SCHEMBL480331 | 0.74 | PTGS2 (0.61) | PTGS2KDM4EAKR1C3AKR1C2 | |
| SCHEMBL2852282 | 0.74 | PTGS2 (0.61) | PTGS2KDM4EAKR1C3AKR1C2 | |
| SCHEMBL2818028 | 0.74 | PTGS2 (0.61) | PTGS2KDM4EAKR1C3AKR1C2 | |
| SCHEMBL18321318 | 0.71 | AKR1C3 (0.51) | POLBPTGS2AKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104496834-A | Preparation method of 3-methyl-4-oxo-4-(p-amino)phenylbutyric acid | ASTATECH CHENGDU PHARM CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-104496834-A | Preparation method of 3-methyl-4-oxo-4-(p-amino)phenylbutyric acid | ASTATECH CHENGDU PHARM CO LTD | 2015-04-08 | — | — | CN | disclosed |