Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 3/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6797264 | 0.86 | RARB (0.59) | ESR1ESR2CYP19A1MAOAPTGER1 | |
| Paraben SCHEMBL9244762 | 0.86 | CA12 (0.67) | DPP4ESR1ESR2CA12CA1 | |
| Hydrochloric Acid SCHEMBL11111164 | 0.84 | RARB (0.58) | ESR1ESR2CYP19A1MAOAPTGER1 | |
| Paraben SCHEMBL8993118 | 0.82 | CA12 (0.61) | DPP4ESR1ESR2CA12CA1 | |
| SCHEMBL9101705 | 0.82 | CA12 (0.67) | DPP4ESR1ESR2CA12CA1 | |
| SCHEMBL938923 | 0.80 | RARB (0.61) | MAOA | |
| Oxalic Acid SCHEMBL28079977 | 0.80 | MAOA (0.68) | MAOALMNAHTR2A | |
| SCHEMBL1980515 | 0.80 | RARB (0.65) | DPP4PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL1982703 | 0.80 | HDAC8 (0.67) | PTGER1PTGER4PTGER3PTGER2HTR2A | |
| SCHEMBL11440914 | 0.79 | RARB (0.62) | MAOAPLA2G4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007041593-A2 | ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007041584-A2 | IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |