Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL7268781 | 1.00 | HCAR2 (0.50) | HCAR2CYP2C19CYP2C9SLC22A12HPGD | |
| SCHEMBL9689911 | 0.84 | CYP2C19 (0.44) | CYP2C19HPGDPOLBTDP1ALDH1A1 | |
| SCHEMBL17282892 | 0.84 | CYP2C19 (0.44) | CYP2C19HPGDPOLBTDP1LMNA | |
| SCHEMBL9689903 | 0.84 | CYP2C19 (0.44) | CYP2C19HPGDPOLBTDP1ALDH1A1 | |
| SCHEMBL7270484 | 0.80 | CYP2C19 (0.49) | CYP2C19CYP2C9HPGDPOLBTDP1 | |
| SCHEMBL28085691 | 0.80 | ALDH1A1 (0.43) | CYP2C19HPGDPOLBALDH1A1RAB9A | |
| SCHEMBL18776513 | 0.80 | ALDH1A1 (0.43) | CYP2C19CYP2C9HPGDPOLBLMNA | |
| SCHEMBL27567170 | 0.77 | HSD17B10 (0.47) | HPGDPOLBLMNAALDH1A1RAB9A | |
| SCHEMBL628656 | 0.76 | — | — | |
| SCHEMBL13857130 | 0.76 | ABCG2 (0.58) | CYP2C19HPGDTDP1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115109250-A | Macromolecular material containing amphiphilic group, preparation method and application thereof | 上海大学 | 2022-09-27 | — | — | CN | claimed |
| CN-115109250-A | Macromolecular material containing amphiphilic group, preparation method and application thereof | 上海大学 | 2022-09-27 | — | — | CN | disclosed |
| US-5039684-A | Absorption when administered orally | VALEAS S. P. A. (IT) | 1991-08-13 | — | — | US | disclosed |
| EP-0384450-A1 | Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances | VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) | 1990-08-29 | — | — | EP | disclosed |