Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 4/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | CDK4 | P11802 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | CCND1 | P24385 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746738 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL15921493 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL8435686 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL25229724 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL7036965 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL25227934 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL8703125 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| Water SCHEMBL8575465 | 0.98 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL29531557 | 0.98 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL6698921 | 0.98 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2AUSP2CDK4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110016037-B | Novel aza-condensed ring compound and preparation method and application thereof | 中山大学 | 2021-10-22 | — | — | CN | disclosed |
| EP-0288515-B1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | ISP INVESTMENTS INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| EP-0288515-A4 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | — | 1990-09-26 | — | — | EP | disclosed |
| US-4883655-A | HAIR OR SKIN CONDITIONING | GAF CORPORATION (US) | 1989-11-28 | — | — | US | disclosed |
| EP-0288515-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS. | GAF CORP (US) | 1988-11-02 | — | — | EP | disclosed |
| WO-1988002985-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | GAF CORPORATION (US) | 1988-05-05 | — | — | WO | disclosed |