Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622281 | 1.00 | CA2 (0.44) | CA2HTR1AHTR1DALDH1A1CYP3A4 | |
| SCHEMBL4231318 | 0.90 | KMT2A (0.40) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL30170903 | 0.85 | DRD2 (0.43) | CA2HTR1DALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4621894 | 0.85 | DRD2 (0.43) | CA2HTR1DALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4620614 | 0.85 | DRD2 (0.43) | CA2HTR1DALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4619378 | 0.85 | DRD2 (0.43) | CA2HTR1DALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4620583 | 0.85 | CA2 (0.47) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL30170977 | 0.85 | CA2 (0.47) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL6746124 | 0.81 | ADRA1D (0.47) | HTR1A | |
| SCHEMBL3894671 | 0.81 | ADRA1D (0.47) | HTR1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432695-A1 | A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS | Wyeth (US) | 2004-06-30 | — | — | EP | disclosed |
| US-6700001-B2 | USEFUL AS INTERMEDIATES TO DRUGS INCLUDING THOSE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS; STEREOSPECIFIC CYCLIZATION OF AN OPTICALLY ACTIVE PHENOL COMPOUND | WYETH | 2004-03-02 | — | — | US | disclosed |
| US-6667322-B2 | Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders | WYETH | 2003-12-23 | — | — | US | disclosed |
| US-20030105342-A1 | Process for stereoselective synthesis of 2-hydroxymethyl chromans | WYETH | 2003-06-05 | — | — | US | disclosed |
| US-20030100579-A1 | Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole | WYETH | 2003-05-29 | — | — | US | disclosed |
| WO-2003031439-A1 | ANTIDEPRESSANT CHROMAN AND CHROMENE DERIVATIVES OF 3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE | WYETH (US) | 2003-04-17 | — | — | WO | disclosed |
| WO-2003031429-A1 | A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS | WYETH (US) | 2003-04-17 | — | — | 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-20030105342-A1 | Process for stereoselective synthesis of 2-hydroxymethyl chromans | CYP2S1, CYP1B1, CYP1A2 | CA2 2495/4885HTR1A 57/4885HTR1D 37/4885 |
| US-20030100579-A1 | Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole | TPH1, HTR1D, HTR1A | CA2 4518/4885HTR1A 3/4885HTR1D 2/4885 |
“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.