Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24090506 | 0.82 | HTR2B (0.55) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| Methylamine SCHEMBL10700891 | 0.80 | HTR1A (0.50) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| SCHEMBL9629898 | 0.79 | MTNR1A (0.56) | MTNR1A | |
| SCHEMBL9627798 | 0.77 | HTR1A (0.50) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| SCHEMBL9628106 | 0.77 | PPARD (0.56) | — | |
| SCHEMBL9627910 | 0.76 | HTR1A (0.44) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| SCHEMBL9628688 | 0.75 | HTR2B (0.43) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| SCHEMBL172889 | 0.75 | HTR1A (0.57) | HTR1AHTR2BSIGMAR1DRD2DRD3 | |
| SCHEMBL135119 | 0.75 | MTNR1A (0.65) | MTNR1A | |
| SCHEMBL10692134 | 0.74 | HTR1A (0.43) | HTR1AHTR2BSIGMAR1DRD2DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0281261-B1 | 3-AMINOMETHYL DERIVATIVES OF INDANE, INDOLINE AND DIHYDROBENZOFURANE AND DIHYDROBENZOTHIOPHENE | H. LUNDBECK A/S (DK) | 1992-05-06 | — | — | EP | disclosed |
| US-4946863-A | CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and method of treating therewith | H. LUNDBECK A/S (DK) | 1990-08-07 | — | — | US | disclosed |
| US-4847254-A | CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes | H. LUNDBECK A/S (DK) | 1989-07-11 | — | — | US | disclosed |
| EP-0281261-A2 | 3-Aminomethyl derivatives of indane, indoline and dihydrobenzofurane and dihydrobenzothiophene | H. LUNDBECK A/S (DK) | 1988-09-07 | — | — | EP | disclosed |