Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.60 |
| ▸ | RAB9A | P51151 | 10/20 | 0.60 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.58 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | TNF | P01375 | 1/20 | 0.57 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.57 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL27772250 | 1.00 | NPC1 (0.60) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL10092619 | 0.84 | MAPT (0.63) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL17226764 | 0.83 | NPC1 (0.61) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL2045676 | 0.82 | CYP2C19 (0.48) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL14667470 | 0.82 | MAPT (0.60) | CDK5CDK5R1PKMSMN1; SMN2MAPT | |
| SCHEMBL13431307 | 0.82 | NPC1 (0.80) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL9504780 | 0.82 | NPC1 (0.80) | NPC1RAB9ACDK5CDK5R1PKM | |
| SCHEMBL213829 | 0.82 | ALDH1A1 (0.51) | CDK5CDK5R1PKMSMN1; SMN2MAPT | |
| SCHEMBL212911 | 0.82 | MAPT (0.60) | CDK5CDK5R1PKMSMN1; SMN2MAPT | |
| SCHEMBL2045675 | 0.82 | CYP2C19 (0.48) | NPC1RAB9ACDK5CDK5R1PKM |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-8404672-B2 | Substituted heterocyclic compounds | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-8399451-B2 | Heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-19 | — | — | US | disclosed |
| US-8389509-B2 | Substituted pyrazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-05 | — | — | US | disclosed |
| US-20130045964-A1 | MANDELAMIDE HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2013-02-21 | — | — | US | disclosed |
| US-8354398-B2 | Substituted isoxazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | The Board of TRustees of the University of Illinoi University of Illinios (US) | 2011-12-08 | — | — | US | disclosed |
| US-20110275610-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2011-11-10 | — | — | US | disclosed |
| US-20110190255-A1 | HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-04 | — | — | 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 (5 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-20110275610-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | S1PR3, S1PR1, S1PR4 | NPC1 479/4885RAB9A 1343/4885CDK5 2661/4885 |
| US-20110190255-A1 | HETEROCYCLIC COMPOUNDS | S1PR1, S1PR3, S1PR5 | NPC1 869/4885RAB9A 826/4885CDK5 1551/4885 |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | S1PR4, S1PR3, S1PR1 | NPC1 617/4885RAB9A 1417/4885CDK5 2990/4885 |
| US-20130045964-A1 | MANDELAMIDE HETEROCYCLIC COMPOUNDS | S1PR1, S1PR3, S1PR5 | NPC1 2345/4885RAB9A 259/4885CDK5 791/4885 |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | S1PR1, S1PR4, S1PR3 | NPC1 573/4885RAB9A 1043/4885CDK5 2121/4885 |
“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.