Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 7/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11760409 | 0.81 | KMT2A (0.44) | KMT2AALDH1A1DHODHCTSAKMO | |
| SCHEMBL20609251 | 0.74 | HTT (0.39) | KMT2AHSD17B10LMNAHTT | |
| SCHEMBL19138009 | 0.71 | HTT (0.46) | KMT2AALDH1A1DHODHHSD17B10MEN1 | |
| SCHEMBL20817165 | 0.71 | KMO (0.52) | ALDH1A1DHODHKMOHSD17B10CYP1A2 | |
| SCHEMBL1178513 | 0.69 | SMN1; SMN2 (0.46) | KMT2AALDH1A1KMONR4A2JAK1 | |
| SCHEMBL7018050 | 0.69 | DPP4 (0.45) | KMT2AALDH1A1DHODHHSD17B10MEN1 | |
| SCHEMBL10809139 | 0.69 | KDM4E (0.46) | KMT2AALDH1A1HSD17B10MEN1MAPT | |
| SCHEMBL368305 | 0.69 | DHODH (0.47) | DHODHHSD17B10LMNAHTT | |
| SCHEMBL147437 | 0.69 | ALDH1A1 (0.52) | ALDH1A1HAVCR2NR4A2JAK1HSD17B10 | |
| SCHEMBL27965143 | 0.68 | KMT2A (0.51) | KMT2AALDH1A1DHODHHSD17B10MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9895362-B2 | Pharmaceutical composition combining an anticonvulsant and a derivate of nicotinic acid | FARMACÉUTICOS RAYERE, S.A. (MX) | 2018-02-20 | — | — | US | claimed |
| US-20170151223-A1 | PHARMACEUTICAL COMPOSITION COMBINING AN ANTICONVULSANT AND A DERIVATE OF NICOTINIC ACID | FARMACÉUTICOS RAYERE, S.A. (MX) | 2017-06-01 | — | — | US | claimed |
| EP-3156051-A1 | PHARMACEUTICAL COMPOSITION COMBINING AN ANTICONVULSANT AND A DERIVATE OF NICOTINIC ACID | FARMACÉUTICOS RAYERE, S.A. (MX) | 2017-04-19 | — | — | EP | claimed |