Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033969 | 0.85 | VCAM1 (0.68) | VCAM1KDM4EALDH1A1AGTR1 | |
| SCHEMBL7744983 | 0.85 | VCAM1 (0.42) | KMOVCAM1AGTR1 | |
| SCHEMBL10740284 | 0.85 | CYP1A2 (0.47) | TSHRVCAM1ALDH1A1 | |
| SCHEMBL2430650 | 0.83 | KMO (0.47) | KMOTSHRHSD11B1VCAM1HDAC3 | |
| SCHEMBL10740290 | 0.81 | HDAC3 (0.40) | VCAM1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10741902 | 0.81 | HCAR3 (0.42) | VCAM1KDM4EALDH1A1 | |
| SCHEMBL9386214 | 0.79 | GSK3B (0.55) | TSHRKDM4EALDH1A1 | |
| SCHEMBL8477772 | 0.78 | HAO1 (0.38) | KMOVCAM1ALDH1A1 | |
| SCHEMBL14417654 | 0.78 | PDK1 (0.49) | KMOALDH1A1 | |
| SCHEMBL339923 | 0.77 | ERCC5 (0.58) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5138088-A | Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1992-08-11 | — | — | US | disclosed |
| US-4656267-A | RENAL VASODILATORS, CARDIOVASCULAR AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-04-07 | — | — | US | disclosed |
| US-4555571-A | Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters | ORTHO PHARMACEUTICAL CORPORATION (US) | 1985-11-26 | — | — | US | disclosed |
| EP-0138491-A2 | Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters | ORTHO PHARMACEUTICAL CORPORATION (US) | 1985-04-24 | — | — | EP | disclosed |
| US-4379929-A | BACTERIOSTATS | ELI LILLY AND COMPANY (US) | 1983-04-12 | — | — | US | disclosed |