Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 6/20 | 0.64 |
| ▸ | MAOA | P21397 | 6/20 | 0.64 |
| ▸ | YAP1 | P46937 | 1/20 | 0.64 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.64 |
| ▸ | KIF11 | P52732 | 1/20 | 0.62 |
| ▸ | NT5E | P21589 | 1/20 | 0.61 |
| ▸ | BCL2 | P10415 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28259510 | 0.91 | MAOA (0.78) | NPC1RAB9AMAOBMAOA | |
| SCHEMBL28259511 | 0.85 | MAOB (0.64) | MAOBMAOA | |
| SCHEMBL28260643 | 0.85 | MAOB (0.81) | MAOBMAOA | |
| SCHEMBL28736488 | 0.84 | MAOB (0.69) | MAOBMAOAKIF11 | |
| SCHEMBL1658926 | 0.84 | NT5E (0.82) | NPC1RAB9AMAOBKIF11NT5E | |
| SCHEMBL28260641 | 0.81 | MAOB (0.59) | MAOBMAOA | |
| SCHEMBL28258966 | 0.80 | MAOB (0.55) | NPC1RAB9AMAOBMAOA | |
| SCHEMBL27936473 | 0.80 | RAB9A (0.84) | NPC1RAB9AMAOBMAOA | |
| SCHEMBL28807420 | 0.80 | MAOA (0.82) | NPC1RAB9AMAOBMAOA | |
| SCHEMBL2480894 | 0.80 | CA1 (0.75) | MAOBMAOAYAP1TEAD4BCL2 |
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-109020888-A | A kind of microtubule polymerization inhibitor of the structure containing pyrazoline and its application | 南京大学 | 2018-12-18 | — | — | CN | claimed |
| CN-109020888-B | Pyrazoline structure-containing microtubule polymerization inhibitor and application thereof | 南京大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-109020888-A | A kind of microtubule polymerization inhibitor of the structure containing pyrazoline and its application | 南京大学 | 2018-12-18 | — | — | CN | disclosed |
| US-7745639-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7625936-B2 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK & CO. INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080194582-A1 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK SHARP & DOHME CORP. | 2008-08-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080194582-A1 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | KIF5B, KIF23, KIF5C | NPC1 840/4885RAB9A 2255/4885MAOB 4702/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.