Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8658683 | 0.72 | TSHR (0.42) | CYP1A2TSHRALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL7174333 | 0.72 | ALDH1A1 (0.42) | CYP1A2TSHRALDH1A1KDM4EDAO | |
| Hydrochloric Acid SCHEMBL7174330 | 0.72 | ALDH1A1 (0.42) | CYP1A2TSHRALDH1A1KDM4EDAO | |
| SCHEMBL7180273 | 0.69 | CTRB1 (0.43) | CYP1A2TSHRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7180279 | 0.69 | CTRB1 (0.43) | CYP1A2TSHRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6130015 | 0.67 | CYP1A2 (0.63) | CYP1A2TSHRALDH1A1KDM4EDAO | |
| SCHEMBL11445226 | 0.67 | SMN1; SMN2 (0.57) | CYP1A2TSHRALDH1A1KDM4ENPC1 | |
| SCHEMBL8553198 | 0.67 | ALKBH5 (0.43) | TSHRALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL7342712 | 0.67 | DDB1 (0.42) | ALDH1A1DDB1CRBNKDM4ENPC1 | |
| SCHEMBL8441232 | 0.66 | DAO (0.40) | CYP1A2ALDH1A1DAORAB9ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021404-B1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS | BOEHRINGER INGELHEIM CA LTD (CA) | 2003-01-08 | — | — | EP | disclosed |
| US-6239125-B1 | ANTIVIRAL AGENTS AGAINST HERPES VIRUSES. | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2001-05-29 | — | — | US | disclosed |
| EP-1021404-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2000-07-26 | — | — | EP | disclosed |
| WO-1999018071-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1999-04-15 | — | — | WO | disclosed |