Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23088100 | 0.86 | CYP2A6 (0.38) | VCAM1MAOAMAOBCYP2A6FNTA | |
| SCHEMBL14382142 | 0.79 | AR (0.36) | CYP2A6ARKDM4EMEN1KMT2A | |
| SCHEMBL13063629 | 0.76 | VCAM1 (0.49) | VCAM1MAOAMAOBCYP2A6TRPV4 | |
| SCHEMBL31663012 | 0.75 | LMNA (0.35) | MAOAMAOBFNTAFNTBAR | |
| SCHEMBL27819759 | 0.75 | TP53 (0.42) | TDP1SMN1; SMN2HSD17B10ALDH1A1MAPT | |
| SCHEMBL30510146 | 0.73 | CYP11B2 (0.47) | MAOAMAOBARKDM4EMEN1 | |
| SCHEMBL25257701 | 0.73 | CYP11B2 (0.47) | MAOAMAOBARKDM4EMEN1 | |
| SCHEMBL28320699 | 0.73 | LMNA (0.42) | MAOAMAOBKDM4EMEN1KMT2A | |
| SCHEMBL10712290 | 0.73 | VCAM1 (0.42) | VCAM1MAOAMAOBCYP2A6TRPV4 | |
| SCHEMBL30718084 | 0.72 | KHK (0.37) | TRPV4ALDH1A1NOS2CYP2D6SLC6A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10208068-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-02-19 | — | — | US | disclosed |
| US-20180148461-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-31 | — | — | US | disclosed |
| US-9902742-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20170158712-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-08 | — | — | US | disclosed |
| EP-2739628-B1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |
| US-9611274-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-04 | — | — | US | disclosed |
| US-20160068544-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-03-10 | — | — | US | disclosed |
| US-9221818-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-29 | — | — | US | disclosed |
| US-20140221338-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-07 | — | — | US | disclosed |
| EP-2739628-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-06-11 | — | — | EP | disclosed |
| WO-2013022818-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-14 | — | — | WO | 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-20180148461-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F12 | VCAM1 909/4885MAOA 930/4885MAOB 1387/4885 |
| US-10208068-B2 | Macrocycles as factor XIa inhibitors | TFPI, TFPI2, F12 | VCAM1 851/4885MAOA 708/4885MAOB 1055/4885 |
| US-20160068544-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F12 | VCAM1 909/4885MAOA 930/4885MAOB 1387/4885 |
| US-20140221338-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F12 | VCAM1 909/4885MAOA 930/4885MAOB 1387/4885 |
| US-20170158712-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F12 | VCAM1 909/4885MAOA 930/4885MAOB 1387/4885 |
“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.