Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4600871 | 0.81 | RXRA (0.36) | RXRARXRBRXRGCXCR5PTGER1 | |
| SCHEMBL4599994 | 0.76 | GRM2 (0.39) | ADRA2A | |
| SCHEMBL22852446 | 0.76 | RAD52 (0.31) | RAD52PTGER1PTGER3PTGIRPTGDR | |
| SCHEMBL9397128 | 0.74 | RAD52 (0.61) | RAD52RXRARXRBRXRGCYP3A4 | |
| SCHEMBL4600677 | 0.74 | GABRA1 (0.37) | CYP3A4ALDH1A1ALOX15PTGS1TDP1 | |
| SCHEMBL4601314 | 0.73 | AKR1C3 (0.36) | MEN1KMT2A | |
| SCHEMBL4599719 | 0.73 | CXCR5 (0.36) | RXRACXCR5ALDH1A1KDM4ELMNA | |
| SCHEMBL4599810 | 0.71 | ADRA2A (0.47) | CHRM2ADRA2ACHRM1ACHEDRD3 | |
| SCHEMBL4600670 | 0.71 | RXRA (0.41) | RXRARXRBRXRGCXCR5PTGER1 | |
| SCHEMBL4599658 | 0.70 | CYP3A4 (0.36) | CYP3A4ALDH1A1HIF1APTGS1TDP1 |
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-5284774-A | Antineoplastic, system-L specific amino acid nitrogen mustards | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECY. OF THE DEPT. OF HEALTH & HUMAN RESOURCES (US) | 1994-02-08 | — | — | US | disclosed |
| US-4772632-A | REDUCED MYELOSUPPRESSION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1988-09-20 | — | — | US | disclosed |