Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193606 | 1.00 | TSHR (0.49) | TSHRCES1CES2AKR1B1CTBP2 | |
| SCHEMBL9709228 | 1.00 | TSHR (0.49) | TSHRCES1CES2AKR1B1CTBP2 | |
| SCHEMBL304838 | 0.98 | TSHR (0.47) | TSHRCES1CES2AKR1B1CTBP2 | |
| SCHEMBL304840 | 0.98 | TSHR (0.47) | TSHRCES1CES2AKR1B1CTBP2 | |
| SCHEMBL4602719 | 0.86 | CA2 (0.50) | CTBP2POLBNPC1RAB9AFNTA | |
| SCHEMBL4602713 | 0.86 | CA2 (0.50) | CTBP2POLBNPC1RAB9AFNTA | |
| SCHEMBL15751226 | 0.84 | CA2 (0.48) | CTBP2POLBNPC1RAB9AFNTA | |
| SCHEMBL10193635 | 0.84 | ALDH1A1 (0.47) | TSHRPOLBKMT2AMEN1KDM4E | |
| SCHEMBL304500 | 0.83 | F2 (0.37) | TSHRCES1CES2CTBP2POLB | |
| SCHEMBL10193636 | 0.83 | PLA2G10 (0.46) | TSHRPOLBCYP3A4CYP2C19 |
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-0244835-B1 | LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1992-08-26 | — | — | EP | claimed |
| EP-0233299-B1 | OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1991-03-13 | — | — | EP | claimed |