Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6039998 | 0.81 | — | — | |
| SCHEMBL7063246 | 0.81 | HSP90AA1 (0.30) | HSP90AA1HSP90AB1 | |
| SCHEMBL2802230 | 0.81 | NPC1 (0.33) | ALDH1A1 | |
| Chloromethane SCHEMBL7608709 | 0.80 | BRD4 (0.33) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL1922929 | 0.80 | BRD4 (0.35) | HSD17B10LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL29929995 | 0.80 | BRD4 (0.35) | HSD17B10LMNAMEN1KMT2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL6064765 | 0.78 | BRD4 (0.34) | HSD17B10LMNAMEN1KMT2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL7642995 | 0.78 | BRD4 (0.34) | HSD17B10LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL8071475 | 0.78 | BRD4 (0.34) | HSD17B10LMNAMEN1KMT2ACYP2D6 | |
| Phenol SCHEMBL23273222 | 0.76 | CA12 (0.35) | TDP1 |
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-1396495-B1 | Metallocenes with a single halogenide attached to the metal | BASELL POLYOLEFINE GMBH (DE) | 2007-01-17 | — | — | EP | disclosed |
| EP-1396495-A1 | Metallocenes with a single halogenide attached to the metal | Basell Polyolefine GmbH (DE) | 2004-03-10 | — | — | EP | disclosed |