Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1002719 | 0.98 | ATM (0.48) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL16803442 | 0.98 | ATM (0.48) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL11250885 | 0.98 | ATM (0.48) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL1894338 | 0.96 | ATM (0.50) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL1899746 | 0.91 | — | — | |
| SCHEMBL14417884 | 0.86 | KDM4E (0.54) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| Monoethanolamine SCHEMBL28091985 | 0.84 | ALDH1A1 (0.41) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| Benzene SCHEMBL28228348 | 0.80 | ALDH1A1 (0.41) | ATMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL11244761 | 0.79 | L3MBTL1 (0.52) | ALDH1A1L3MBTL1MEN1KMT2AMAPT | |
| SCHEMBL15431972 | 0.79 | CA2 (0.46) | ATMALDH1A1L3MBTL1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0008802-B1 | ERGOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM | FARMITALIA CARLO ERBA S.p.A. (IT) | 1982-07-21 | — | — | EP | disclosed |
| US-4321381-A | Ergot derivatives | FARMITALIA CARLO ERBA S.P.A. (IT) | 1982-03-23 | — | — | US | disclosed |
| US-4252941-A | HYPOTENSIVE AGENTS, ANTIPROLACTINIC AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-02-24 | — | — | US | disclosed |
| EP-0008802-A1 | Ergoline derivatives, their preparation and therapeutic composition containing them | FARMITALIA CARLO ERBA S.p.A. (IT) | 1980-03-19 | — | — | EP | disclosed |