Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9198802 | 0.87 | NFKB1 (0.45) | ALDH1A1THRBMEN1KMT2ANPSR1 | |
| SCHEMBL9199038 | 0.86 | NFKB1 (0.35) | RAB9ATHRBTSHRMEN1KMT2A | |
| SCHEMBL9545132 | 0.83 | CYP11B2 (0.45) | CYP2A6CHRNB2CHRNA4CYP11B2ALDH1A1 | |
| SCHEMBL9195303 | 0.82 | CYP2A6 (0.36) | CYP2A6THRBMEN1KMT2ACYP1A2 | |
| SCHEMBL9545130 | 0.81 | CYP19A1 (0.37) | CYP2A6RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL9545138 | 0.81 | CYP19A1 (0.37) | CYP2A6RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL9545532 | 0.77 | MAPT (0.35) | CYP11B2ALDH1A1KDM4EMEN1MAPK1 | |
| SCHEMBL9194471 | 0.77 | GSK3B (0.47) | RAB9AALDH1A1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL26422507 | 0.70 | CYP11B2 (0.58) | CYP2A6RAB9ACHRNB2CHRNA4CYP11B2 | |
| SCHEMBL9275393 | 0.68 | PDK2 (0.33) | CYP11B2ALDH1A1KMT2ANPSR1CYP1A2 |
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-0636132-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021185-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-28 | — | — | WO | disclosed |