Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.51 |
| ▸ | GUSB | P08236 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 2/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29551160 | 0.82 | TNKS2 (0.61) | TNKS2GUSBPARP1ALDH1A1KDM4E | |
| SCHEMBL146025 | 0.82 | TNKS2 (0.61) | TNKS2GUSBPARP1ALDH1A1KDM4E | |
| Ethoxycarbonyl Group SCHEMBL28330788 | 0.76 | KDM4E (0.51) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| Quinazolinone SCHEMBL20788537 | 0.75 | PARP1 (0.66) | TNKS2GUSBPARP1ALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL27796040 | 0.73 | KMT2A (0.39) | GUSBALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL28096465 | 0.72 | PDE10A (0.61) | TNKS2PARP1KDM4EPARP2RAB9A | |
| Hydrochloric Acid SCHEMBL15742407 | 0.70 | KDM4C (0.65) | TNKS2GUSBPARP1ALDH1A1KDM4E | |
| Phenanthrene SCHEMBL28669665 | 0.69 | ALDH1A1 (0.48) | ALDH1A1KDM4ERAB9ANPC1TDP1 | |
| Ethoxycarbonyl Group SCHEMBL27323073 | 0.69 | L3MBTL1 (0.40) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL30176850 | 0.68 | TNKS2 (1.00) | TNKS2PARP1ALDH1A1KDM4EPARP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101796031-A | Heterobicyclic carboxamide derivatives and their pharmaceutical use and compositions | PFIZER | 2010-08-04 | — | — | CN | disclosed |