Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909498 | 0.91 | TSHR (0.37) | TSHRGABRG2GABRB3GABRA5MEN1 | |
| SCHEMBL8909720 | 0.88 | DHODH (0.38) | KMT2AALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8909629 | 0.88 | CA12 (0.39) | GABRG2GABRB3GABRA5MEN1KMT2A | |
| SCHEMBL9434374 | 0.87 | SMAD3 (0.39) | GABRG2GABRB3GABRA5ALDH1A1GABRA2 | |
| SCHEMBL8912086 | 0.86 | CYP2C9 (0.39) | TSHRMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL8911562 | 0.86 | POLB (0.40) | GABRG2GABRB3GABRA5ALDH1A1MAPT | |
| SCHEMBL1388815 | 0.85 | MAPT (0.44) | TSHRGABRG2GABRB3GABRA5MEN1 | |
| SCHEMBL8365325 | 0.85 | ABL1 (0.32) | — | |
| SCHEMBL8910230 | 0.84 | GABRA1 (0.38) | TSHRGABRG2GABRB3GABRA5KMT2A | |
| SCHEMBL8910758 | 0.80 | DHODH (0.38) | TSHRKMT2AALDH1A1SMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | claimed |
| US-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | disclosed |
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |