Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL526002 | 0.98 | HSD17B1 (0.41) | HSD17B1HSD17B2MAPTSMN1; SMN2SREBF2 | |
| SCHEMBL12578149 | 0.93 | HSD17B1 (0.44) | HSD17B1HSD17B2MAPTSMN1; SMN2SREBF2 | |
| SCHEMBL14846491 | 0.91 | PRKCI (0.35) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14575073 | 0.91 | PRKCI (0.35) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL13859420 | 0.89 | PRKCI (0.37) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL844528 | 0.89 | PRKCI (0.37) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL29946176 | 0.89 | PRKCI (0.37) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL29669260 | 0.87 | PRKCI (0.36) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL29631485 | 0.87 | PRKCI (0.36) | HSD17B1HSD17B2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL12578199 | 0.85 | HSD17B1 (0.38) | HSD17B1HSD17B2MAPTSMN1; SMN2SREBF2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012013719-A1 | NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS | UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) | 2012-02-02 | — | — | WO | disclosed |