Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.50 |
| ▸ | WNT3A | P56704 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236 | 1.00 | NPC1 (0.62) | NPC1RAB9ATDP1MAOBPBRM1 | |
| SCHEMBL2229945 | 0.80 | HTT (0.50) | NPC1RAB9ATDP1MAOBLMNA | |
| SCHEMBL2229950 | 0.80 | HTT (0.50) | NPC1RAB9ATDP1MAOBLMNA | |
| SCHEMBL6495175 | 0.80 | NPC1 (0.72) | NPC1RAB9ATDP1MAOBPBRM1 | |
| SCHEMBL6495182 | 0.80 | NPC1 (0.72) | NPC1RAB9ATDP1MAOBPBRM1 | |
| SCHEMBL13991177 | 0.77 | MAP2K1 (0.58) | LMNAKMT2ARECQLMAPTPIM1 | |
| SCHEMBL13357712 | 0.77 | MAP2K1 (0.58) | LMNAKMT2ARECQLMAPTPIM1 | |
| SCHEMBL2728702 | 0.77 | GPR84 (0.67) | NPC1RAB9ATDP1MAOBPBRM1 | |
| SCHEMBL657691 | 0.77 | NPC1 (1.00) | NPC1RAB9ATDP1MAOBPBRM1 | |
| SCHEMBL29522745 | 0.77 | NPC1 (1.00) | NPC1RAB9ATDP1MAOBPBRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |
| US-5521184-A | ANTITUMOR AGENTS; imatinib mesylate | CIBA-GEIGY CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | disclosed |
| EP-0672040-A1 | FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION | Novartis AG (CH) | 1995-09-20 | — | — | EP | disclosed |
| WO-1995009852-A1 | FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1995-04-13 | — | — | WO | disclosed |
| US-4876252-A | ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN | AMERICAN CYANAMID COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| US-4788195-A | TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS | AMERICAN CYANAMID COMPANY (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0233461-A2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID COMPANY (US) | 1987-08-26 | — | — | EP | disclosed |