Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3356470 | 0.96 | CHRM2 (0.56) | CHRM2TMEM97SIGMAR1SMN1; SMN2HDAC3 | |
| Toluene SCHEMBL3905099 | 0.88 | MEN1 (0.55) | CHRM2TMEM97SIGMAR1SMN1; SMN2HDAC3 | |
| Toluene SCHEMBL3903419 | 0.84 | FOLH1 (0.46) | TMEM97SIGMAR1HDAC3HDAC1HDAC2 | |
| Toluene SCHEMBL3909886 | 0.84 | CHRM2 (0.54) | CHRM2MEN1KMT2ANPC1TP53 | |
| Toluene SCHEMBL3910413 | 0.83 | REN (0.55) | SIGMAR1KDM4EREN | |
| Toluene SCHEMBL3916407 | 0.83 | REN (0.51) | SIGMAR1MEN1KMT2ANPC1RAB9A | |
| Toluene SCHEMBL3904509 | 0.83 | REN (0.47) | SMN1; SMN2HDAC1HDAC2HDAC8HDAC6 | |
| Toluene SCHEMBL3904976 | 0.82 | REN (0.53) | SIGMAR1MEN1KMT2AKDM4AKDM2A | |
| SCHEMBL3357890 | 0.81 | CHRM2 (0.59) | CHRM2SIGMAR1MEN1KMT2ANPC1 | |
| Toluene SCHEMBL3905671 | 0.80 | KDM4E (0.46) | SMN1; SMN2MEN1KMT2ANPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | US | disclosed |