Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL1336792 | 0.81 | ALDH1A1 (0.62) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL1336794 | 0.81 | ALDH1A1 (0.62) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL16701556 | 0.81 | ALDH1A1 (0.70) | TRPM8ALDH1A1HTTCYP1A2CYP2D6 | |
| SCHEMBL4959484 | 0.80 | ATM (0.55) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL15155882 | 0.80 | ATM (0.55) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL8401674 | 0.79 | ALDH1A1 (0.49) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL5813680 | 0.79 | ALDH1A1 (0.58) | TRPM8ALDH1A1HTTCYP1A2CYP2D6 | |
| SCHEMBL1468921 | 0.78 | CYP1A2 (0.56) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL18545425 | 0.78 | TRPM8 (0.50) | TRPM8ALDH1A1HTTPKMKDM4E | |
| SCHEMBL10651901 | 0.78 | ALDH1A1 (0.57) | TRPM8ALDH1A1CYP1A2CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971582-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | Brystol-Myers Squibb Company (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007076431-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-05 | — | — | WO | disclosed |