Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11241358 | 0.68 | SLC6A1 (0.50) | ALDH1A1ACHECYP3A4CYP2C9HTT | |
| SCHEMBL11257165 | 0.67 | SIGMAR1 (0.43) | ALDH1A1KDM4EHRH3ACHESIGMAR1 | |
| SCHEMBL11252330 | 0.67 | SLC6A1 (0.49) | KMT2AMEN1CHRM2CHRM3 | |
| SCHEMBL7782410 | 0.66 | SLC6A1 (0.46) | CHRM3 | |
| SCHEMBL7780678 | 0.65 | SLC6A1 (0.56) | KDM4EHRH3SIGMAR1CHRM2CHRM3 | |
| SCHEMBL11253836 | 0.65 | SLC6A1 (0.45) | — | |
| SCHEMBL11251634 | 0.63 | SLC6A1 (0.43) | CXCR3LMNAPOLB | |
| SCHEMBL19915039 | 0.63 | CXCR3 (0.44) | CXCR3ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL13638129 | 0.62 | KMT2A (0.71) | ALDH1A1KMT2AKDM4EMEN1HRH3 | |
| SCHEMBL20553097 | 0.61 | SIGMAR1 (0.60) | ALDH1A1KMT2AKDM4EMEN1ACHE |
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-4342762-A | USEFUL AS TRANQUILIZERS, ANALGESICS, ANTIEPILEPTIC AGENTS, AND AS A TREATMENT FOR PARKINSON'S DISEASE | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1982-08-03 | — | — | US | disclosed |