Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016406 | 0.82 | ALDH1A1 (0.53) | KMT2ARAB9ANPC1KDM4EPOLB | |
| SCHEMBL1016143 | 0.82 | KMT2A (0.58) | NTRK1KMT2AALDH1A1 | |
| SCHEMBL6016385 | 0.82 | CDC7 (0.46) | KMT2AKDM4EPOLBALDH1A1 | |
| SCHEMBL6016488 | 0.82 | RXFP1 (0.48) | NTRK1KMT2APOLBALDH1A1 | |
| SCHEMBL6016460 | 0.81 | KDM4E (0.55) | NTRK1KMT2AMYCNTRK3RAB9A | |
| SCHEMBL6016525 | 0.81 | KMT2A (0.38) | KMT2AMYCRAB9ALDHANPC1 | |
| SCHEMBL6016408 | 0.80 | ALDH1A1 (0.46) | NTRK1MYCGAAKDM4EALDH1A1 | |
| SCHEMBL31167707 | 0.80 | ALDH1A1 (0.46) | NTRK1MYCGAAKDM4EALDH1A1 | |
| SCHEMBL400143 | 0.80 | NTRK1 (0.60) | NTRK1KMT2ANTRK3LDHANTRK2 | |
| SCHEMBL25309730 | 0.79 | NTRK1 (0.41) | NTRK1KMT2AMYCNTRK3RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| CN-1166643-C | 4-phenyl-pyrimidine derivatives | - | 2004-09-15 | — | — | CN | disclosed |
| CN-1353697-A | 4-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-06-12 | — | — | CN | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |