Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15842563 | 0.81 | KDM4E (0.59) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL11324775 | 0.79 | AKR1B1 (0.64) | KDM4EALDH1A1GAAMAOBKMT2A | |
| SCHEMBL8636466 | 0.79 | CA12 (0.52) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL2812687 | 0.78 | AKR1B1 (0.64) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL13231988 | 0.75 | MCL1 (0.55) | KDM4EALDH1A1GAAMAOBMAOA | |
| SCHEMBL155968 | 0.74 | ALDH1A1 (0.53) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL129924 | 0.72 | TSHR (0.60) | KDM4EALDH1A1MAOAKMT2ACA12 | |
| SCHEMBL3085227 | 0.71 | MCL1 (0.59) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL11502202 | 0.71 | KDM4E (0.67) | KDM4EALDH1A1GLAGAAMAOB | |
| SCHEMBL29258466 | 0.70 | TSHR (0.53) | KDM4EALDH1A1MAOAKMT2ACA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4289779-A | HETEROCYCLIC ESTERS OF MONIC ACID; TREATMENT OF PENICILLIN-RESISTANT GONORRHEA | BEECHAM GROUP LIMITED (GB) | 1981-09-15 | — | — | US | claimed |
| US-4267316-A | HETEROCYCLIC ESTERS OF PSEUDOMONIC ACID; UROGENITAL DISORDERS; NEISSERIA; BRONCHIUS; VETERINARY MEDICINE | BEECHAM GROUP LIMITED (GB) | 1981-05-12 | — | — | US | claimed |