Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | KIF11 | P52732 | 3/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30915210 | 1.00 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL12264154 | 0.85 | CYP19A1 (0.71) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL7768289 | 0.84 | TSHR (0.54) | ALDH1A1TSHRKIF11CYP19A1RAB9A | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.84 | TSHR (1.00) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.84 | TSHR (1.00) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.84 | TSHR (1.00) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL7173455 | 0.84 | CYP1A2 (0.48) | ALDH1A1TSHRPTPN1CYP3A4CYP2D6 | |
| SCHEMBL36629 | 0.84 | CYP1A2 (0.48) | ALDH1A1TSHRPTPN1CYP3A4CYP2D6 | |
| Trifluoromethylbenzene SCHEMBL28851750 | 0.81 | TSHR (0.82) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL1549721 | 0.81 | TSHR (0.82) | ALDH1A1TSHRKIF11CYP19A1TRPV6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800116-B1 | Photoresist composition | MITSUBISHI CHEM CORP (JP) | 2001-08-22 | — | — | EP | disclosed |
| US-5759736-A | Photoresist composition | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-06-02 | — | — | US | disclosed |
| EP-0800116-A1 | Photoresist composition | Mitsubishi Chemical Corporation (JP) | 1997-10-08 | — | — | EP | disclosed |
| US-4081278-A | AND A REDUCIBLE DYE OR DYE PRECURSOR | EASTMAN KODAK COMPANY (US) | 1978-03-28 | — | — | US | disclosed |