Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | PKM | P14618 | 5/20 | 0.44 |
| ▸ | MITF | O75030 | 2/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31154551 | 0.88 | ADORA3 (0.46) | CES2CES1LMNAL3MBTL1NAPRT | |
| Pyrazole SCHEMBL28332131 | 0.86 | KMT2A (0.55) | CES2CES1LMNAL3MBTL1NAPRT | |
| 2-Picolinic Acid SCHEMBL9805822 | 0.85 | LMNA (0.69) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL1505348 | 0.84 | — | — | |
| SCHEMBL4914089 | 0.84 | CES2 (0.67) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL61183 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL902138 | 0.82 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| Hydrochloric Acid SCHEMBL17493405 | 0.82 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL9064565 | 0.82 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL16143265 | 0.82 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704102-B1 | SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS | US HEALTH (US) | 2024-02-28 | — | — | EP | disclosed |
| US-8263610-B2 | Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds | ARQULE, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| EP-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| US-20100056791-A1 | Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |
| US-20100056791-A1 | Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |
| US-20100056791-A1 | Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |
| EP-2058310-A1 | PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE | Kyorin Pharmaceutical Co., Ltd. (JP) | 2009-05-13 | — | — | EP | disclosed |
| EP-2058310-A1 | PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE | Kyorin Pharmaceutical Co., Ltd. (JP) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008026687-A1 | PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2008-03-06 | — | — | WO | disclosed |
| US-3979399-A | ATARACTIC, ANALGESIC, HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1976-09-07 | — | — | US | disclosed |
| US-3966746-A | ATARACTIC, ANALGESIC, HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1976-06-29 | — | — | US | 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-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | NQO1, IDH3B, IDH1 | CES2 2625/4885CES1 3110/4885LMNA 1591/4885 |
| US-20100056791-A1 | Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same | PDE5A, PDE3A, PDE2A | CES2 247/4885CES1 206/4885LMNA 3955/4885 |
“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.