Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL1093229 | 0.82 | ALDH1A1 (0.41) | TSHRPRKDCALDH1A1L3MBTL1KDM4E | |
| SCHEMBL3947184 | 0.74 | KMT2A (0.42) | GAAPOLBKMT2APDK2CYP1A2 | |
| SCHEMBL3924363 | 0.74 | ALDH1A1 (0.38) | TSHRPRKDCALDH1A1L3MBTL1KDM4E | |
| SCHEMBL3924406 | 0.74 | ALDH1A1 (0.39) | TSHRPRKDCALDH1A1L3MBTL1KDM4E | |
| SCHEMBL2235673 | 0.73 | NPY1R (0.37) | GAASMN1; SMN2KMT2ADRD2DRD4 | |
| SCHEMBL26629591 | 0.72 | ALDH1A1 (0.41) | TSHRPRKDCALDH1A1L3MBTL1KDM4E | |
| SCHEMBL9928204 | 0.72 | CYP1A2 (0.34) | KMT2APDK2CYP1A2CYP2C19 | |
| SCHEMBL5170552 | 0.70 | CYP1A2 (0.37) | GAAHPGDSMN1; SMN2NPC1KMT2A | |
| SCHEMBL1531822 | 0.70 | KMT2A (0.41) | TSHRL3MBTL1GAAHPGDKMT2A | |
| SCHEMBL164608 | 0.68 | TSHR (0.41) | TSHRPRKDCALDH1A1L3MBTL1KDM4E |
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-2021841-A1 | PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS | TRANSITIONS OPTICAL, INC. (US) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007140071-A1 | PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS | TRANSITIONS OPTICAL, INC. (US) | 2007-12-06 | — | — | WO | disclosed |