Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL24861066 | 0.82 | ERN1 (0.57) | CES2CES1TDP1LMNAALB | |
| Propene SCHEMBL27785695 | 0.80 | CES2 (0.52) | CES2CES1TDP1LMNAALB | |
| SCHEMBL16008609 | 0.79 | CA12 (0.47) | CES2CES1TDP1CA12CA1 | |
| SCHEMBL29931004 | 0.79 | CA12 (0.47) | CES2CES1TDP1CA12CA1 | |
| SCHEMBL260553 | 0.79 | CES2 (0.67) | CES2CES1TDP1LMNAALB | |
| SCHEMBL1813220 | 0.78 | CA1 (0.61) | ERN1CA12CA1CA2CA7 | |
| SCHEMBL30382166 | 0.78 | ALDH1A1 (0.44) | LMNAALBCA12CA1CA2 | |
| SCHEMBL30259474 | 0.78 | ALDH1A1 (0.44) | LMNAALBCA12CA1CA2 | |
| SCHEMBL674718 | 0.78 | ALDH1A1 (0.44) | LMNAALBCA12CA1CA2 | |
| SCHEMBL8937915 | 0.77 | ALDH1A1 (0.52) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105121427-B | Pyridine radicals and condensed pyridine base triazolone derivative | 武田药品工业株式会社 | 2018-04-10 | — | — | CN | disclosed |
| CN-107735401-A | Substituted Dihydropyrrolopyrazole Derivatives | 宇部兴产株式会社 | 2018-02-23 | — | — | CN | disclosed |
| CN-105121427-A | Pyridinyl and fused pyridinyl triazolone derivatives | TAKEDA PHARMACEUTICAL | 2015-12-02 | — | — | CN | disclosed |