Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11115893 | 1.00 | NFE2L2 (0.59) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089429 | 0.98 | NFE2L2 (0.61) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL3140459 | 0.98 | NFE2L2 (0.61) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL3140451 | 0.98 | NFE2L2 (0.61) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089413 | 0.90 | NFE2L2 (0.53) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089423 | 0.88 | NFE2L2 (0.52) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089431 | 0.87 | POLB (0.55) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089415 | 0.87 | MAPT (0.51) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089436 | 0.87 | CYP1B1 (0.53) | NFE2L2HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL29089427 | 0.87 | POLB (0.55) | NFE2L2HDAC1HDAC2MEN1KMT2A |
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-0030351-B1 | ERGOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM | FARMITALIA CARLO ERBA S.p.A. (IT) | 1984-08-08 | — | — | EP | disclosed |
| US-4382940-A | ANTIDEPRESSANTS, TRANQUILLIZERS, NEUROLENTIC AGENTS, HORMONE INHIB | FARMITALIA CARLO ERBA S.P.A. (IT) | 1983-05-10 | — | — | US | disclosed |
| EP-0030351-A2 | Ergoline derivatives, their preparation and therapeutic composition containing them | FARMITALIA CARLO ERBA S.p.A. (IT) | 1981-06-17 | — | — | EP | disclosed |