Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 9/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347463 | 0.84 | PRKDC (0.39) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL14347531 | 0.81 | MAOA (0.33) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL14347475 | 0.79 | HTR1B (0.49) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL14347543 | 0.79 | TNKS (0.39) | ALDH1A1NPC1RAB9AMAPTCA12 | |
| SCHEMBL14347431 | 0.78 | NPC1 (0.39) | ALDH1A1KDM4ELMNANPC1RAB9A | |
| SCHEMBL14347527 | 0.77 | LOXL2 (0.43) | PRKDC | |
| SCHEMBL14374844 | 0.77 | MAOA (0.49) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL14347415 | 0.77 | ELANE (0.35) | ALDH1A1KDM4ERAB9ACA1CA2 | |
| SCHEMBL14347532 | 0.76 | CYP1A2 (0.50) | ALDH1A1KDM4EMAPTHSD17B10MEN1 | |
| SCHEMBL14347473 | 0.75 | PRKDC (0.59) | KDM4EPRKDCSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |