Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | BAD | Q92934 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7268159 | 0.87 | CHRNB2 (0.42) | CHRNB2CHRNA4TDP1MCL1BAD | |
| SCHEMBL7267921 | 0.80 | TDP1 (0.51) | TDP1FFAR1AKR1B1KMT2AKDM4E | |
| SCHEMBL7239901 | 0.77 | GPR52 (0.49) | TDP1L3MBTL1KMT2AKDM4EMEN1 | |
| SCHEMBL17435206 | 0.73 | TDP1 (0.70) | TDP1L3MBTL1KMT2AKDM4EMEN1 | |
| SCHEMBL5010156 | 0.72 | CHRNB2 (0.52) | CHRNB2CHRNA4TDP1MCL1BAD | |
| SCHEMBL8804035 | 0.70 | GPR52 (0.48) | TDP1L3MBTL1KMT2AKDM4EMEN1 | |
| SCHEMBL7267678 | 0.70 | GPR52 (0.48) | TDP1KDM4ESMN1; SMN2CYP1A1CYP1B1 | |
| SCHEMBL1826164 | 0.68 | CYP1A2 (0.52) | TDP1MCL1AKR1B1KMT2AHPGD | |
| Naphthalen-1-Yl-Methanol SCHEMBL27326059 | 0.68 | TDP1 (0.57) | CHRNB2CHRNA4TDP1L3MBTL1KMT2A | |
| SCHEMBL28023427 | 0.67 | GPR52 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | claimed |