Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1713303 | 1.00 | TDP1 (0.39) | TDP1POLBKIF11TSHRRECQL | |
| SCHEMBL27389193 | 0.76 | CYP1A2 (0.44) | KIF11KMT2AESR1 | |
| SCHEMBL9080423 | 0.69 | ESR1 (0.34) | TDP1KIF11KMT2AESR1TAS1R3 | |
| SCHEMBL6672278 | 0.69 | KIF11 (0.40) | TDP1POLBKIF11NPC1RAB9A | |
| SCHEMBL6672276 | 0.69 | KIF11 (0.40) | TDP1POLBKIF11NPC1RAB9A | |
| SCHEMBL10228100 | 0.67 | APP (0.47) | TDP1KIF11NPC1RAB9AKMT2A | |
| SCHEMBL10001972 | 0.67 | CES2 (0.42) | TDP1POLBKIF11NPC1RAB9A | |
| SCHEMBL10110040 | 0.67 | MCL1 (0.39) | TDP1POLBKIF11NPC1RAB9A | |
| SCHEMBL23639732 | 0.66 | KIF11 (0.38) | TDP1POLBKIF11SMN1; SMN2VDR | |
| SCHEMBL12051657 | 0.65 | ESR1 (0.44) | TDP1POLBKIF11TSHRKMT2A |
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-0664286-B1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH & CIE (CH) | 1998-04-22 | — | — | EP | disclosed |
| US-5521151-A | Tetralinic nitriles, their use as perfuming ingredients and aldehyde intermediates for their preparation | FIRMENICH S.A. (CH) | 1996-05-28 | — | — | US | disclosed |
| EP-0664286-A1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH SA (CH) | 1995-07-26 | — | — | EP | disclosed |