Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HA1 | P13674 | 3/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10755004 | 0.82 | NNMT (0.42) | KDM4E | |
| SCHEMBL4649294 | 0.77 | P4HA1 (0.43) | P4HA1P4HTMNOTUMMIFALDH1A1 | |
| SCHEMBL4886683 | 0.66 | ALDH1A1 (0.58) | P4HA1P4HTMMIFALDH1A1KDM4E | |
| SCHEMBL4600260 | 0.66 | ALDH1A1 (0.52) | P4HA1P4HTMMIFALDH1A1KDM4E | |
| SCHEMBL8390530 | 0.65 | NOTUM (0.50) | NOTUMALDH1A1ALOX15HCAR2MAPT | |
| 6-Mercaptonicotinic Acid SCHEMBL2606736 | 0.65 | TSHR (0.48) | NOTUMALDH1A1KDM4EHSD17B10NAPRT | |
| SCHEMBL29864 | 0.64 | — | — | |
| SCHEMBL930016 | 0.64 | ALDH1A1 (0.43) | P4HA1P4HTMNOTUMMIFALDH1A1 | |
| Hydrochloric Acid SCHEMBL20396062 | 0.64 | ALDH1A1 (0.50) | P4HA1P4HTMMIFALDH1A1KDM4E | |
| SCHEMBL185448 | 0.62 | ALDH1A1 (0.54) | P4HA1P4HTMMIFALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202330-A | Hypotensive and cardiovascular agent, reduces blood pressure in mammals | E. R. SQUIBB & SONS, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-4728652-A | VASODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0204317-A2 | 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1986-12-10 | — | — | EP | disclosed |
| EP-0202654-A2 | 5-Carboxy-1,4-dihydropyrimidine derivatives | E.R. Squibb & Sons, Inc. (US) | 1986-11-26 | — | — | EP | disclosed |