Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17437928 | 0.85 | SPR (0.49) | SPRHTR2CPLATKMT2AKDM4E | |
| SCHEMBL25583491 | 0.85 | SPR (0.49) | SPRHTR2CPLATKMT2AMEN1 | |
| SCHEMBL19128840 | 0.79 | SPR (0.45) | SPRHTR2CPLATKDM4EHSD17B10 | |
| SCHEMBL17454441 | 0.77 | SPR (0.43) | SPRKDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL19127292 | 0.77 | SPR (0.43) | SPRHTR2CPLATKDM4EHSD17B10 | |
| SCHEMBL23888976 | 0.77 | PLAT (0.49) | SPRHTR2CPLATKMT2ACYP1A2 | |
| SCHEMBL19128597 | 0.77 | SPR (0.45) | SPRHTR2CPLATKMT2AKDM4E | |
| SCHEMBL23889008 | 0.77 | SPR (0.43) | SPRHTR2CPLATKMT2ACYP1A2 | |
| SCHEMBL19127243 | 0.77 | SPR (0.43) | SPRHTR2CPLATKDM4EHSD17B10 | |
| SCHEMBL19128127 | 0.76 | SPR (0.42) | SPRHTR2CPLATKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3652168-B1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-06-30 | — | — | EP | disclosed |