Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5774612 | 0.82 | GAA (0.42) | SMN1; SMN2ALDH1A1RAB9AKMT2AMAPT | |
| SCHEMBL1181190 | 0.72 | PDK2 (0.51) | CYP11B1CYP11B2ALDH1A1KMT2AKDM4E | |
| SCHEMBL3493650 | 0.71 | TSHR (0.44) | NPC1SMN1; SMN2RAB9AKMT2AKDM4E | |
| SCHEMBL3493043 | 0.71 | TSHR (0.44) | NPC1SMN1; SMN2RAB9AKMT2AKDM4E | |
| SCHEMBL5125735 | 0.67 | CASP1 (0.42) | ALDH1A1KMT2AHPGDCES2CES1 | |
| SCHEMBL5125736 | 0.67 | CASP1 (0.42) | ALDH1A1KMT2AHPGDCES2CES1 | |
| SCHEMBL31146017 | 0.66 | KMT2A (0.49) | CYP11B1CYP11B2SMN1; SMN2P2RX7ALDH1A1 | |
| SCHEMBL8242079 | 0.66 | KMT2A (0.49) | CYP11B1CYP11B2SMN1; SMN2P2RX7ALDH1A1 | |
| SCHEMBL7080990 | 0.66 | CES2 (0.61) | CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL1742047 | 0.66 | GAA (0.67) | CYP11B1CYP11B2SMN1; SMN2P2RX7ALDH1A1 |
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-6670373-B1 | Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide | ELI LILLY AND COMPANY | 2003-12-30 | — | — | US | disclosed |