Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL16984692 | 0.82 | KDM4E (0.42) | MTNR1AKDM4EHSD17B10MEN1POLB | |
| SCHEMBL11270162 | 0.80 | DPP4 (0.46) | PTGS1PTGS2KDM4EHSD17B10MEN1 | |
| SCHEMBL11256037 | 0.80 | ALDH1A1 (0.44) | KDM4EHSD17B10MEN1POLBKMT2A | |
| SCHEMBL16981798 | 0.78 | KDM4E (0.38) | MTNR1AKDM4EHSD17B10MEN1POLB | |
| SCHEMBL3275768 | 0.70 | DPP4 (0.46) | KDM4EHSD17B10MEN1POLBKMT2A | |
| SCHEMBL11272641 | 0.69 | RAB9A (0.46) | KDM4EMEN1POLBKMT2AALDH1A1 | |
| SCHEMBL12438171 | 0.68 | ALDH1A1 (0.54) | MEN1POLBKMT2AALDH1A1HPGD | |
| SCHEMBL13595551 | 0.67 | TSHR (0.61) | PTGS1PTGS2KDM4EPOLBALDH1A1 | |
| SCHEMBL25166334 | 0.65 | LMNA (0.38) | MTNR1AKDM4EHSD17B10MEN1POLB | |
| SCHEMBL16703954 | 0.65 | MAPT (0.37) | KDM4EHSD17B10MEN1POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9745265-B2 | 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2017-08-29 | — | — | US | disclosed |