Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 12/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884164 | 0.80 | KDM4E (0.33) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL4623912 | 0.77 | METAP2 (0.35) | NPC1ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL6746143 | 0.76 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL6489268 | 0.75 | BCHE (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1323935 | 0.74 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5622080 | 0.74 | AR (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5946637 | 0.73 | PDGFRB (0.52) | NISCH | |
| SCHEMBL434158 | 0.73 | METAP2 (0.43) | SMN1; SMN2ALDH1A1HPGDHSD17B10NISCH | |
| SCHEMBL3226179 | 0.72 | KDR (0.35) | — | |
| SCHEMBL38673 | 0.72 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6251894-B1 | SUBSTANCE P ANTAGONISTS | JANSSEN PHARMACEUTICALS N.V. (BE) | 2001-06-26 | — | — | US | claimed |
| EP-1544194-A1 | 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-6054457-A | Benzamide derivatives and their use as vasopressin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |