Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7480517 | 0.84 | PARP1 (0.50) | PARP1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL7479971 | 0.83 | PARP1 (0.38) | PARP1ALDH1A1GAA | |
| SCHEMBL7482826 | 0.72 | TOP1 (0.35) | — | |
| SCHEMBL7482126 | 0.72 | TDP1 (0.39) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| Metrazifone SCHEMBL2108915 | 0.67 | NPC1 (0.43) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL15730718 | 0.67 | POLQ (0.33) | — | |
| SCHEMBL2614634 | 0.64 | HPGD (0.64) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL18108823 | 0.58 | RAD51 (0.37) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL5892111 | 0.58 | MAPT (0.45) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL5951668 | 0.57 | ACHE (0.49) | MAPTPOLB |
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-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |