Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.60 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.56 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.56 |
| ▸ | ITGAL | P20701 | 1/20 | 0.56 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7003269 | 1.00 | PKM (0.60) | PKMITGB2ICAM1ITGALPTPN11 | |
| SCHEMBL11703094 | 0.87 | CYP1A2 (0.55) | PKMALDH1A1LMNACYP3A4ALOX5 | |
| SCHEMBL11703099 | 0.87 | CYP1A2 (0.55) | PKMALDH1A1LMNACYP3A4ALOX5 | |
| SCHEMBL14926714 | 0.86 | IAPP (0.56) | PKMITGB2ICAM1ITGALTHRB | |
| SCHEMBL7003924 | 0.86 | KDM4E (0.53) | PKMITGB2ICAM1ITGALPTPN11 | |
| SCHEMBL7003926 | 0.86 | KDM4E (0.53) | PKMITGB2ICAM1ITGALPTPN11 | |
| SCHEMBL584596 | 0.83 | KDM4E (0.58) | PKMKDM4EALDH1A1HSD17B10MAPK1 | |
| SCHEMBL1124517 | 0.83 | PYGL (0.62) | PKMITGB2ICAM1ITGALKDM4E | |
| SCHEMBL7828903 | 0.83 | PYGL (0.62) | PKMITGB2ICAM1ITGALKDM4E | |
| SCHEMBL1124516 | 0.83 | PYGL (0.62) | PKMITGB2ICAM1ITGALKDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108948128-B | Catalyst-free hydrazone-linked polypeptide or protein chemical modification method based on electron-deficient benzaldehyde | 中国科学技术大学 | 2021-10-01 | — | — | CN | disclosed |
| WO-2017051355-A1 | COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-30 | — | — | WO | disclosed |
| WO-2017017607-A1 | BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-02-02 | — | — | WO | disclosed |
| EP-0996621-B1 | TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS | ASTRAZENECA AB (SE) | 2003-10-01 | — | — | EP | disclosed |
| US-6251910-B1 | 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists | ASTRAZENECA UK LIMITED (GB) | 2001-06-26 | — | — | US | disclosed |
| US-3931168-A | Cinnamamidohydantoins | MORTON-NORWICH PRODUCTS, INC. (US) | 1976-01-06 | — | — | US | disclosed |