Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL25044550 | 0.88 | SMN1; SMN2 (0.74) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL1420642 | 0.86 | NR1H4 (0.62) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL16982943 | 0.85 | HPGD (0.64) | SMN1; SMN2HTTHPGDALDH1A1KDM4E | |
| SCHEMBL10323669 | 0.85 | HPGD (0.69) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL12121064 | 0.85 | HTT (0.63) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL20145565 | 0.85 | HPGD (0.74) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL1032002 | 0.83 | MAPK1 (0.77) | SMN1; SMN2HTTHPGDALDH1A1KDM4E | |
| SCHEMBL1420715 | 0.81 | HTT (0.56) | SMN1; SMN2NPC1RAB9AHTTHPGD | |
| SCHEMBL24163202 | 0.81 | HPGD (0.62) | RAB9AHTTHPGDALDH1A1KDM4E | |
| SCHEMBL1034235 | 0.81 | HPGD (0.72) | SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170002006-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-01-05 | — | — | US | disclosed |
| US-9453018-B2 | Pyrimidinones as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-27 | — | — | US | disclosed |
| US-20160096839-A1 | PYRIMIDINONES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2016-04-07 | — | — | 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 (2 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-20170002006-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | TFPI2, F2, TFPI | SMN1; SMN2 4474/4885NPC1 2295/4885RAB9A 3652/4885 |
| US-20160096839-A1 | PYRIMIDINONES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F2 | SMN1; SMN2 3315/4885NPC1 3590/4885RAB9A 2644/4885 |
“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.