Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30189894 | 1.00 | NQO2 (0.43) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL6691814 | 0.88 | ALDH1A1 (0.47) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL6901949 | 0.88 | HSP90AA1 (0.48) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL6690657 | 0.79 | HSP90AA1 (0.43) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL6697802 | 0.79 | HSP90AA1 (0.39) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL2749954 | 0.77 | NPC1 (0.45) | ALDH1A1NPC1RAB9AKDM4EHPGD | |
| SCHEMBL660168 | 0.77 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9AKDM4EHPGD | |
| SCHEMBL8040045 | 0.77 | NQO2 (0.47) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL2749006 | 0.75 | ALDH1A1 (0.58) | NQO2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL2748734 | 0.75 | NQO2 (0.46) | NQO2ALDH1A1NPC1RAB9AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | F2, F2RL3, PF4 | NQO2 756/4885ALDH1A1 1618/4885NPC1 2639/4885 |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | F2, F2RL3, F12 | NQO2 851/4885ALDH1A1 1598/4885NPC1 2194/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.