Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.37 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945071 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8425499 | 0.95 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8425497 | 0.95 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6950276 | 0.89 | KMT2A (0.41) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6950282 | 0.89 | KMT2A (0.41) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8425734 | 0.84 | KMT2A (0.38) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8425736 | 0.84 | KMT2A (0.38) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6951671 | 0.83 | KMT2A (0.43) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6951666 | 0.83 | KMT2A (0.43) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6953602 | 0.82 | PTK2 (0.39) | ALDH1A1TSHRMAPTMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743304-B1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6034099-A | Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones | CELL PATHWAYS, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0930881-A1 | PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY | MERCK PATENT GmbH (DE) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998016224-A1 | PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY | MERCK PATENT GMBH (DE) | 1998-04-23 | — | — | WO | disclosed |
| EP-0743304-A1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |