Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2135825 | 0.82 | POLB (0.55) | SIGMAR1HPGDSMN1; SMN2NPC1TDP1 | |
| SCHEMBL5104857 | 0.80 | HSP90AA1 (0.59) | TACR1SIGMAR1HSP90AA1NPC1RAB9A | |
| SCHEMBL25884649 | 0.80 | EPHX2 (0.63) | HSP90AA1HPGDSMN1; SMN2NPC1TDP1 | |
| SCHEMBL16510056 | 0.79 | POLB (0.60) | TACR1SIGMAR1HSP90AA1NPC1RAB9A | |
| SCHEMBL14359179 | 0.77 | HSP90AA1 (0.56) | TACR1SIGMAR1HSP90AA1NPC1RAB9A | |
| SCHEMBL771134 | 0.77 | TACR1 (0.49) | TACR1SIGMAR1HSP90AA1HPGDSMN1; SMN2 | |
| SCHEMBL13485746 | 0.76 | HSP90AA1 (0.55) | TACR1SIGMAR1HSP90AA1NPC1RAB9A | |
| SCHEMBL13485747 | 0.75 | HSP90AA1 (0.54) | TACR1SIGMAR1HSP90AA1NPC1RAB9A | |
| SCHEMBL771135 | 0.74 | TACR1 (0.49) | TACR1SIGMAR1HSP90AA1HPGDSMN1; SMN2 | |
| SCHEMBL10163014 | 0.74 | NPC1 (0.73) | SIGMAR1HPGDSMN1; SMN2NPC1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013007371-A2 | KINETIC RESOLUTION OF CHIRAL AMINES | ETH ZURICH (CH) | 2013-01-17 | — | — | WO | disclosed |