Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008686 | 1.00 | THRB (0.43) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL6947834 | 0.91 | THRB (0.44) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL6947838 | 0.91 | THRB (0.44) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL8009327 | 0.89 | MAPT (0.37) | THRBKMT2AALDH1A1HTTMEN1 | |
| SCHEMBL8009323 | 0.89 | MAPT (0.37) | THRBKMT2AALDH1A1HTTMEN1 | |
| SCHEMBL6953328 | 0.86 | ALDH1A1 (0.47) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL6953331 | 0.86 | ALDH1A1 (0.47) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL6949544 | 0.84 | PTGS2 (0.47) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL6949542 | 0.84 | PTGS2 (0.47) | THRBKMT2AALDH1A1GAAHTT | |
| SCHEMBL8008689 | 0.82 | THRB (0.40) | THRBKMT2AALDH1A1GAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |