Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.46 |
| ▸ | RXRG | P48443 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL27898390 | 0.91 | AKR1B1 (0.55) | AKR1B1RXRBRXRARXRGALDH1A1 | |
| Malonic Acid SCHEMBL1304383 | 0.86 | MAPT (0.51) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Bicarbonate SCHEMBL8082241 | 0.85 | MAPT (0.57) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Oxalic Acid SCHEMBL7825836 | 0.84 | MAPT (0.56) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Carbamic Acid SCHEMBL28412507 | 0.82 | MAPT (0.54) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Acetic Acid SCHEMBL6535946 | 0.82 | MAPT (0.54) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Diphenylmethane SCHEMBL29053551 | 0.82 | CALM1 (0.43) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Oxalic Acid SCHEMBL7835342 | 0.82 | MAPT (0.50) | MAPTKDM4EALDH1A1CYP1A2ACHE | |
| Benzene SCHEMBL29053622 | 0.82 | MAPT (0.50) | MAPTKDM4EALDH1A1CYP1A2LMNA | |
| Urea SCHEMBL28255233 | 0.80 | MAPT (0.51) | MAPTKDM4EALDH1A1CYP1A2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016255-A3 | SUBSTITUTED TETRAHYDROQUINOLINES, PHENYLACETIC ACIDS AND BENZOIC ACIDS AS HEPATOCYTE NUCLEAR FACTOR 4 (HNF-4 ) MODULATOR COMPOUNDS | LIGAND PHARM INC (US) | 2005-06-16 | — | — | WO | disclosed |
| WO-2005016255-A2 | SUBSTITUTED TETRAHYDROQUINOLINES, PHENYLACETIC ACIDS AND BENZOIC ACIDS AS HEPATOCYTE NUCLEAR FACTOR 4 (HNF-4 ) MODULATOR COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2005-02-24 | — | — | WO | disclosed |