Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMO | O15229 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1986403 | 0.90 | CES2 (0.70) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL211017 | 0.87 | ALDH1A1 (0.67) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL31226266 | 0.86 | ALDH1A1 (0.66) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL10790552 | 0.85 | TSHR (0.65) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL5500374 | 0.85 | TP53 (0.67) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL7406991 | 0.84 | TP53 (0.65) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL27788349 | 0.83 | AGTR1 (0.57) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL12629766 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL8850402 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CES2CES1KMT2ATP53 | |
| SCHEMBL15961317 | 0.83 | PRSS1 (0.58) | ALDH1A1CES2CES1KMT2ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-13 | — | — | US | disclosed |
| US-8815881-B2 | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-08-26 | — | — | US | disclosed |
| CN-103068806-A | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | SIENA BIOTECH SPA | 2013-04-24 | — | — | CN | disclosed |
| US-20120035195-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) | 2012-02-09 | — | — | US | disclosed |
| EP-1140828-B1 | 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | PFIZER LTD (GB) | 2006-08-09 | — | — | EP | disclosed |
| US-7049444-B2 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | PFIZER INC. (US) | 2006-05-23 | — | — | US | disclosed |
| CN-1192021-C | 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor ligands | PFIZER LTD (US) | 2005-03-09 | — | — | CN | disclosed |
| US-20030013875-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | PFIZER, INC. (US) | 2003-01-16 | — | — | US | disclosed |
| US-20020072616-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | PFIZER INC. | 2002-06-13 | — | — | US | disclosed |
| CN-1331679-A | 3-azabicyclo [3.1.0] hexane derivatives as opiate receptors ligands | PFIZER LTD (US) | 2002-01-16 | — | — | CN | disclosed |
| US-6313312-B1 | OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING | PFIZER INC | 2001-11-06 | — | — | US | disclosed |
| EP-1140828-A1 | 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | Pfizer Limited (GB) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039089-A1 | 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | PFIZER LIMITED (GB) | 2000-07-06 | — | — | 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 (4 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-20020072616-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | OPRM1, OPRK1, OPRD1 | ALDH1A1 70/4885CES2 50/4885CES1 254/4885 |
| US-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | BACE2, BACE1, PSEN2 | ALDH1A1 326/4885CES2 552/4885CES1 166/4885 |
| US-20120035195-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | BACE2, BACE1, PSEN2 | ALDH1A1 326/4885CES2 552/4885CES1 166/4885 |
| US-20030013875-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | OPRM1, OPRK1, OPRD1 | ALDH1A1 70/4885CES2 50/4885CES1 254/4885 |
“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.