Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.44 |
| ▸ | RXRB | P28702 | 3/20 | 0.44 |
| ▸ | RXRG | P48443 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL7175494 | 1.00 | RXRA (0.44) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7623162 | 0.84 | RXRA (0.39) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7176955 | 0.82 | CSF1R (0.42) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7177129 | 0.82 | CSF1R (0.42) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7175987 | 0.82 | CSF1R (0.42) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7182343 | 0.80 | ACHE (0.48) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7625150 | 0.77 | HRH3 (0.36) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL7184465 | 0.74 | FKBP1A (0.54) | — | |
| SCHEMBL9097746 | 0.73 | FAAH (0.41) | NPC1RAB9AMAOAMAOBFFAR1 | |
| SCHEMBL8462058 | 0.73 | RXRB (0.61) | RXRARXRBRXRGNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941112-B1 | METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS | VERTEX PHARMA (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-0839143-B1 | TETRALIN COMPOUNDS WITH MDR ACTIVITY | VERTEX PHARMA (US) | 2002-08-07 | — | — | EP | disclosed |
| US-5811434-A | ADMINISTERING A COMPOSITION COMPRISING A NEUROTROPHIC AMOUNT OF A COMPOUND AND A NEUROTROPHIC FACTOR, SUCH AS NERVE GROWTH FACTOR | VERTEX PHARMACUETICALS INCORPORATED (US) | 1998-09-22 | — | — | US | disclosed |