Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25362834 | 1.00 | AKR1C3 (0.41) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL25362718 | 1.00 | AKR1C3 (0.41) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL25364150 | 0.86 | RAB9A (0.40) | GRIN2BALDH1A1SLC18A3GAASIGMAR1 | |
| SCHEMBL4002380 | 0.86 | SLC18A3 (0.46) | AKR1C3AKR1C1ALDH1A1POLBSLC18A3 | |
| SCHEMBL25364244 | 0.86 | RAB9A (0.40) | GRIN2BALDH1A1SLC18A3GAASIGMAR1 | |
| SCHEMBL26115404 | 0.86 | GAA (0.36) | GRIN2BALDH1A1LMNAGAA | |
| SCHEMBL17240985 | 0.84 | CYP11B2 (0.42) | GRIN2BALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL29007751 | 0.84 | CYP11B2 (0.42) | GRIN2BALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL25363191 | 0.84 | HTR2C (0.43) | ALDH1A1KMT2AGAANPC1TP53 | |
| SCHEMBL25364684 | 0.84 | HTR2C (0.43) | ALDH1A1KMT2AGAANPC1TP53 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3515433-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | disclosed |
| US-10301260-B2 | Pyrrolidine GPR40 modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-05-28 | — | — | US | disclosed |
| CN-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |
| US-20170081282-A1 | PYRROLIDINE GPR40 MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-23 | — | — | US | disclosed |
| EP-3140294-A1 | PYRROLIDINE GPR40 MODULATORS | Bristol-Myers Squibb Company (US) | 2017-03-15 | — | — | EP | disclosed |
| WO-2015171757-A1 | PYRROLIDINE GPR40 MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-11-12 | — | — | WO | disclosed |
| EP-1824853-A1 | NOVEL SPIROTROPANE COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | Virochem Pharma Inc. (CA) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006060918-A1 | NOVEL SPIROTROPANE COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC. (CA) | 2006-06-15 | — | — | 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-20170081282-A1 | PYRROLIDINE GPR40 MODULATORS | GPR55, GPR65, GPR4 | AKR1C3 1963/4885AKR1C1 1522/4885GRIN2B 317/4885 |
| US-10301260-B2 | Pyrrolidine GPR40 modulators | GPR55, GPR65, GPR4 | AKR1C3 1963/4885AKR1C1 1522/4885GRIN2B 317/4885 |
“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.