Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7748913 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1KMT2AATM | |
| SCHEMBL8305851 | 0.89 | KMT2A (0.46) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| SCHEMBL8305853 | 0.89 | KMT2A (0.46) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| SCHEMBL8443262 | 0.76 | LMNA (0.43) | ALDH1A1KDM4ETDP1KMT2AATM | |
| SCHEMBL7393110 | 0.74 | KMT2A (0.50) | ALDH1A1TDP1KMT2AATMMEN1 | |
| SCHEMBL4679636 | 0.73 | ATM (0.55) | ALDH1A1KDM4ETDP1KMT2AATM | |
| SCHEMBL1731885 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1KMT2AATM | |
| Hydrochloric Acid SCHEMBL8439823 | 0.72 | ATM (0.54) | ALDH1A1KDM4ETDP1KMT2AATM | |
| SCHEMBL8307349 | 0.72 | KMT2A (0.40) | ALDH1A1KDM4ETDP1KMT2AATM | |
| Hydrochloric Acid SCHEMBL4226418 | 0.71 | KMT2A (0.49) | ALDH1A1KDM4ETDP1KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906099-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2001-02-07 | — | — | EP | claimed |
| EP-0906099-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | claimed |
| WO-1997036587-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | claimed |