Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13374673 | 0.86 | ADRB2 (0.60) | NPC1KDM4EKMT2AADRB2ADRB1 | |
| SCHEMBL11227911 | 0.83 | ABCG2 (0.40) | KDM4EADRB2ADRB1ADRB3ABCG2 | |
| SCHEMBL5035248 | 0.81 | TSHR (0.53) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11223507 | 0.80 | SMN1; SMN2 (0.49) | RAB9AKDM4EKMT2AADRB2ADRB1 | |
| SCHEMBL11230610 | 0.79 | ADRB2 (0.56) | NPC1RAB9AKMT2AADRB2ADRB1 | |
| SCHEMBL10934687 | 0.79 | KDM4E (0.43) | KDM4EKMT2AATMADRB2ADRB1 | |
| SCHEMBL10718315 | 0.78 | CYP3A4 (0.61) | NPC1RAB9AKDM4EKMT2AATM | |
| SCHEMBL29829102 | 0.77 | ALDH1A1 (0.49) | ADRB2ADRB1ADRB3 | |
| SCHEMBL21603040 | 0.77 | ALDH1A1 (0.49) | ADRB2ADRB1ADRB3 | |
| SCHEMBL14069188 | 0.77 | CYP1A2 (0.44) | NPC1RAB9AKDM4EKMT2AADRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4354008-A | CHELATING COMONOMER AND CHELATABLE TRANSITION METAL SALT | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1982-10-12 | — | — | US | claimed |
| US-4354008-A | CHELATING COMONOMER AND CHELATABLE TRANSITION METAL SALT | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |