Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076875 | 1.00 | NPC1 (0.37) | NPC1RAB9AKMT2ATDP1ALDH1A1 | |
| SCHEMBL29025878 | 0.89 | ALDH1A1 (0.38) | NPC1RAB9AKMT2ATDP1ALDH1A1 | |
| SCHEMBL30478696 | 0.89 | ALDH1A1 (0.38) | NPC1RAB9AKMT2ATDP1ALDH1A1 | |
| SCHEMBL29025875 | 0.82 | S1PR1 (0.40) | ALDH1A1S1PR1S1PR3 | |
| SCHEMBL20605293 | 0.80 | ALDH1A1 (0.40) | NPC1RAB9AKMT2AALDH1A1GAA | |
| SCHEMBL20605289 | 0.80 | ALDH1A1 (0.40) | NPC1RAB9AKMT2AALDH1A1GAA | |
| SCHEMBL2249224 | 0.78 | ALDH1A1 (0.37) | KMT2ATDP1ALDH1A1GAALMNA | |
| SCHEMBL19322331 | 0.77 | ALDH1A1 (0.38) | NPC1RAB9AKMT2AALDH1A1GAA | |
| SCHEMBL24167727 | 0.76 | EGFR (0.40) | NPC1RAB9AKMT2AALDH1A1GAA | |
| SCHEMBL6584471 | 0.76 | EGFR (0.40) | NPC1RAB9AKMT2AALDH1A1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |
| US-11578074-B2 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) | 2023-02-14 | — | — | US | disclosed |
| EP-3677583-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2020-07-08 | — | — | EP | disclosed |
| US-20200190091-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2020-06-18 | — | — | US | disclosed |
| CN-109422755-A | A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2019-03-05 | — | — | CN | 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-20200190091-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | ERBB2, EGFR, ERBB4 | NPC1 1519/4885RAB9A 1981/4885KMT2A 2737/4885 |
| US-11578074-B2 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | ERBB2, EGFR, ERBB4 | NPC1 1553/4885RAB9A 2006/4885KMT2A 2632/4885 |
“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.