Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8633330 | 1.00 | MGMT (0.40) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL8633481 | 0.81 | BCHE (0.32) | NPC1RAB9ADCPSSMN1; SMN2 | |
| SCHEMBL2045062 | 0.72 | NPC1 (0.59) | NPC1RAB9AALDH1A1 | |
| SCHEMBL2045054 | 0.70 | RAB9A (0.53) | NPC1RAB9AALDH1A1 | |
| SCHEMBL2045056 | 0.70 | RAB9A (0.53) | NPC1RAB9AALDH1A1 | |
| SCHEMBL2050312 | 0.69 | RAB9A (0.49) | NPC1RAB9AALDH1A1 | |
| SCHEMBL7258781 | 0.69 | NPC1 (0.49) | NPC1RAB9A | |
| SCHEMBL2050310 | 0.69 | RAB9A (0.49) | NPC1RAB9AALDH1A1 | |
| SCHEMBL2045918 | 0.69 | NPC1 (0.59) | NPC1RAB9AALDH1A1 | |
| SCHEMBL8634850 | 0.68 | — | — |
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-5712281-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1998-01-27 | — | — | US | disclosed |
| US-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |