Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861452 | 0.84 | KDM4E (0.37) | TDP1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL13851440 | 0.78 | ALDH1A1 (0.53) | TDP1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL4822992 | 0.70 | MAPT (0.48) | TDP1ALDH1A1TSHRHSD17B10KDM4E | |
| Iodide SCHEMBL7335651 | 0.68 | MAPT (0.47) | TDP1ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL13979716 | 0.65 | MAPT (0.56) | TDP1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL12301906 | 0.65 | PIK3CA (0.37) | ALDH1A1HSD17B10KDM4EHTTMAPT | |
| SCHEMBL17967724 | 0.65 | MAPT (0.43) | ALDH1A1TSHRHSD17B10KDM4EHTT | |
| Iodide SCHEMBL3053673 | 0.64 | MAPT (0.58) | TDP1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL30924937 | 0.63 | ALDH1A1 (0.33) | ALDH1A1MAPTMEN1KMT2ARAB9A | |
| SCHEMBL8798366 | 0.63 | ALDH1A1 (0.49) | TDP1ALDH1A1CYP2A6TSHRHSD17B10 |
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-0772607-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996003393-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1996-02-08 | — | — | WO | disclosed |