Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CFD | P00746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | GGT1 | P19440 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL9899201 | 0.90 | NR4A2 (0.46) | SLC6A3TSHRHTTCFDKDM4E | |
| SCHEMBL1009498 | 0.90 | TSHR (0.48) | SLC6A3TSHRHTTCFDKDM4E | |
| SCHEMBL3151462 | 0.88 | MAPK8 (0.47) | SLC6A3CFDKMT2AALDH1A1NR4A2 | |
| SCHEMBL27165405 | 0.87 | CFD (0.41) | SLC6A3HTTCFDKDM4EHPGD | |
| SCHEMBL174812 | 0.86 | CFD (0.43) | SLC6A3TSHRCFDKDM4EHPGD | |
| SCHEMBL8511704 | 0.86 | BACE1 (0.44) | SLC6A3HTTCFDKDM4EKMT2A | |
| SCHEMBL25876669 | 0.86 | BACE1 (0.44) | SLC6A3HTTCFDKDM4EHPGD | |
| SCHEMBL1334088 | 0.84 | DHODH (0.53) | TSHRHTTKDM4EHPGDKMT2A | |
| SCHEMBL27165414 | 0.84 | CFD (0.39) | SLC6A3CFDKDM4EHPGDTP53 | |
| SCHEMBL9899016 | 0.82 | NR4A2 (0.50) | SLC6A3TSHRCFDKDM4EHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963896-B1 | PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS | TRANSITIONS OPTICAL INC (US) | 2010-02-10 | — | — | EP | disclosed |
| US-7556751-B2 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL, INC. (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1963896-A1 | PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS | TRANSITIONS OPTICAL, INC. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007073462-A1 | PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS | TRANSITIONS OPTICAL, INC. (US) | 2007-06-28 | — | — | WO | disclosed |
| US-20070138449-A1 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL LIMITED (IE) | 2007-06-21 | — | — | US | disclosed |