Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8305012 | 0.74 | L3MBTL1 (0.45) | CYP1A2CA1CA2CA12CA9 | |
| SCHEMBL904632 | 0.70 | — | — | |
| Tannin Pyrogallol SCHEMBL28290079 | 0.68 | ALDH1A1 (0.64) | CYP1A2CA1CA2ALDH1A1LMNA | |
| Tannin Pyrogallol SCHEMBL27755771 | 0.66 | ALDH1A1 (0.60) | CYP1A2CA1CA2ALDH1A1LMNA | |
| SCHEMBL17878532 | 0.65 | CA2 (0.39) | CYP1A2CA1CA2CA12CA9 | |
| Biphenyl SCHEMBL151980 | 0.65 | ALDH1A1 (0.69) | CYP1A2ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL1071609 | 0.65 | TAAR1 (0.56) | CYP1A2ALDH1A1LMNANPC1RAB9A | |
| Water SCHEMBL28351968 | 0.63 | TAAR1 (0.54) | CYP1A2ALDH1A1LMNANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL28118118 | 0.63 | TAAR1 (0.54) | CYP1A2ALDH1A1LMNANPC1RAB9A | |
| Biphenyl SCHEMBL11511546 | 0.63 | ALDH1A1 (0.64) | CYP1A2ALDH1A1LMNANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994011378-A1 | ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-05-26 | — | — | WO | disclosed |
| US-5314900-A | Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1994-05-24 | — | — | US | disclosed |
| US-5202321-A | Antihistamine, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1993-04-13 | — | — | US | disclosed |
| EP-0518426-A1 | Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1992-12-16 | — | — | EP | disclosed |