Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790211 | 1.00 | ALDH1A1 (0.36) | ALDH1A1CES2CES1SLC6A4HTR2A | |
| SCHEMBL4827316 | 1.00 | ALDH1A1 (0.36) | ALDH1A1CES2CES1SLC6A4HTR2A | |
| SCHEMBL4835331 | 0.85 | HTR2A (0.40) | ALDH1A1SLC6A4HTR2AKCNH2PARP14 | |
| SCHEMBL31226791 | 0.85 | ALDH1A1 (0.35) | ALDH1A1SLC6A4HTR2AKCNH2PARP14 | |
| SCHEMBL4835323 | 0.85 | HTR2A (0.40) | ALDH1A1SLC6A4HTR2AKCNH2PARP14 | |
| SCHEMBL15211633 | 0.82 | SOS1 (0.39) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL19354872 | 0.82 | SOS1 (0.39) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL17233115 | 0.82 | SOS1 (0.39) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL13573700 | 0.80 | CES2 (0.34) | CES2CES1SLC6A3PDPK1RPS6KB1 | |
| SCHEMBL765625 | 0.78 | CES2 (0.36) | ALDH1A1CES2CES1SLC6A4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021055326-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-03-25 | — | — | WO | disclosed |
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| US-9458110-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160152628-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-06-02 | — | — | US | disclosed |
| US-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | US | disclosed |
| US-9126944-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-09-08 | — | — | US | disclosed |
| US-20140243338-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-08-28 | — | — | US | disclosed |
| US-8124634-B2 | CB1 receptor modulators | 7TM PHARMA A/S (DK) | 2012-02-28 | — | — | US | disclosed |
| US-20100010061-A1 | CB1 RECEPTOR MODULATORS | 7TM PHARMA A/S (DK) | 2010-01-14 | — | — | US | disclosed |
| US-7442692-B2 | Indanyl-piperazine compounds | LES LABORATOIRES SERVIER (FR) | 2008-10-28 | — | — | US | disclosed |
| EP-1707564-B1 | Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them | SERVIER LAB (FR) | 2007-09-12 | — | — | EP | disclosed |
| US-20060223830-A1 | Indanyl-piperazine compounds | LES LABORATOIRES SERVIER (FR) | 2006-10-05 | — | — | US | disclosed |
| EP-1707564-A2 | Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them | Les Laboratoires Servier (FR) | 2006-10-04 | — | — | EP | 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 (5 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-20160152628-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | MYLK, MYLK2, ROCK1 | ALDH1A1 3223/4885CES2 4099/4885CES1 1976/4885 |
| US-20060223830-A1 | Indanyl-piperazine compounds | HTR4, NR4A1, NR4A3 | ALDH1A1 614/4885CES2 2363/4885CES1 2576/4885 |
| US-20140243338-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | ROCK1, ROCK2, MYLK | ALDH1A1 2675/4885CES2 4510/4885CES1 1868/4885 |
| US-20100010061-A1 | CB1 RECEPTOR MODULATORS | CNR1, CNR2, GPR6 | ALDH1A1 3325/4885CES2 500/4885CES1 312/4885 |
| US-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | ROCK1, ROCK2, MYLK | ALDH1A1 2675/4885CES2 4510/4885CES1 1868/4885 |
“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.