Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CD69 | Q07108 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28140231 | 0.81 | DRD2 (0.45) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL2954850 | 0.80 | CYP1A2 (0.52) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL225715 | 0.80 | PNMT (0.60) | AKR1B1TDP1HTR2BDRD2DRD4 | |
| SCHEMBL7189694 | 0.80 | DRD3 (0.51) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL28747863 | 0.79 | DRD3 (0.48) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL21694426 | 0.79 | DRD2 (0.48) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL2965407 | 0.79 | DRD2 (0.48) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL10462625 | 0.78 | AKR1B1 (0.51) | AKR1B1TDP1MAOAKDM4EALDH1A1 | |
| SCHEMBL7184376 | 0.78 | DRD2 (0.50) | TDP1POLBHTR2BDRD2DRD4 | |
| SCHEMBL5286529 | 0.77 | SLC1A3 (0.47) | TDP1POLBHTR2BDRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2652552-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082299-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |