Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.38 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL9738669 | 1.00 | ABCB1 (1.00) | ABCB1ADRB2TOP2AMTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL9741907 | 0.99 | ABCB1 (0.98) | ABCB1ADRB2TOP2AMTNR1AMTNR1B | |
| SCHEMBL9739016 | 0.86 | ABCB1 (1.00) | ABCB1TOP2ALMNAGAAHTT | |
| Hydrochloric Acid SCHEMBL9740283 | 0.85 | ABCB1 (0.97) | ABCB1ADRB2TOP2ALMNAGAA | |
| SCHEMBL9739889 | 0.83 | ABCB1 (0.71) | ABCB1ADRB2MTNR1AMTNR1BL3MBTL1 | |
| SCHEMBL9739542 | 0.82 | ABCB1 (0.69) | ABCB1ADRB2MTNR1AMTNR1BCYP2D6 | |
| Hydrochloric Acid SCHEMBL9744499 | 0.82 | ABCB1 (0.69) | ABCB1ADRB2MTNR1AMTNR1BL3MBTL1 | |
| Hydrochloric Acid SCHEMBL9750425 | 0.81 | ABCB1 (0.68) | ABCB1ADRB2MTNR1AMTNR1BCYP2D6 | |
| SCHEMBL9739983 | 0.81 | ABCB1 (0.67) | ABCB1ADRB2LMNACYP1A2CYP2D6 | |
| SCHEMBL9739038 | 0.80 | ABCB1 (0.74) | ABCB1TOP2ALMNAGAANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992017464-A1 | PHARMACOLOGICALLY ACTIVE α-AMINOETHYL-2-BENZOFURANE METHANOLS SUBSTITUTED IN POSITION 3 | NOE CHRISTIAN R (AT) | 1992-10-15 | — | — | WO | disclosed |