Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3815074 | 0.90 | TDP1 (0.47) | HSPB1ALDH1A1GLATDP1ATM | |
| SCHEMBL4824611 | 0.90 | TDP1 (0.47) | HSPB1ALDH1A1GLATDP1ATM | |
| SCHEMBL1136179 | 0.86 | TSHR (0.44) | HSPB1ALDH1A1TSHRKMT2AMAPT | |
| SCHEMBL30121999 | 0.84 | MAPT (0.51) | HSPB1ALDH1A1GLATDP1PRMT5 | |
| SCHEMBL3701823 | 0.84 | MAPT (0.51) | HSPB1ALDH1A1GLATDP1PRMT5 | |
| SCHEMBL9066974 | 0.83 | KDM4E (0.51) | ALDH1A1GLAL3MBTL1NPC1RAB9A | |
| SCHEMBL1136235 | 0.83 | HTR2A (0.51) | HSPB1TDP1ATML3MBTL1NPC1 | |
| SCHEMBL4211452 | 0.82 | NPC1 (0.60) | ALDH1A1GLATDP1L3MBTL1NPC1 | |
| SCHEMBL4211458 | 0.82 | NPC1 (0.60) | ALDH1A1GLATDP1L3MBTL1NPC1 | |
| SCHEMBL3808783 | 0.82 | NPC1 (0.60) | ALDH1A1GLATDP1L3MBTL1NPC1 |
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-6573377-B1 | Antitumor agent capable of showing its efficacy even against 5- FU drug resistant tumors | DAIICHI PHARMACEUTICALS CO., LTD. (JP) | 2003-06-03 | — | — | US | disclosed |
| US-6552018-B1 | As antitumor agents | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-22 | — | — | US | disclosed |
| EP-1103551-A1 | PYRAZOLE DERIVATIVES AND SALTS THEREOF | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-05-30 | — | — | EP | disclosed |
| US-6169086-B1 | AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |