Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11545570 | 0.93 | HPGD (0.43) | HPGDHTTPKMNPC1CYP1A2 | |
| SCHEMBL11544965 | 0.86 | ALDH1A1 (0.42) | NPC1RAB9AALDH1A1KMT2AKDM4E | |
| SCHEMBL11155527 | 0.81 | HRH3 (0.44) | HPGDNPC1RAB9AL3MBTL1MAPK1 | |
| SCHEMBL542283 | 0.76 | NOS2 (0.39) | — | |
| SCHEMBL11546116 | 0.75 | MEN1 (0.39) | ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL11547753 | 0.75 | ALDH1A1 (0.47) | HPGDHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7373953 | 0.74 | KMT2A (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7379917 | 0.74 | KMT2A (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11547645 | 0.74 | HTR2C (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL7376051 | 0.73 | PRCP (0.34) | KMT2AMEN1 |
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-4154840-A | Antihypertensive pipecolic acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4105776-A | ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-08-08 | — | — | US | disclosed |