Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628583 | 0.85 | ESR1 (0.55) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL9628446 | 0.84 | ESR1 (0.57) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL9627819 | 0.82 | ADRA2A (0.57) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL11652411 | 0.81 | ESR1 (0.66) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL9629977 | 0.80 | ESR1 (0.52) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL8433848 | 0.76 | MTNR1A (0.67) | NQO2MTNR1AMTNR1B | |
| SCHEMBL3411465 | 0.75 | ESR1 (0.62) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL6649193 | 0.75 | HTR1A (0.46) | ESR1ESR2MAOAMAOBOPRM1 | |
| SCHEMBL5390076 | 0.75 | ACHE (0.55) | ESR1ESR2MAOAMAOBDRD2 | |
| SCHEMBL11668110 | 0.74 | ESR1 (0.60) | ESR1ESR2NQO2MTNR1AMTNR1B |
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 |