Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15269326 | 0.85 | HPGD (0.54) | PYCR1TSHRTAAR1HPGDCYP1A2 | |
| SCHEMBL31719788 | 0.82 | TAAR1 (0.62) | PYCR1TSHRTAAR1HPGDCYP1A2 | |
| SCHEMBL2818877 | 0.82 | PYCR1 (0.46) | PYCR1TSHRTAAR1HPGDCYP1A2 | |
| SCHEMBL14143465 | 0.81 | RIPK1 (0.45) | HPGDLMNARIPK1KMT2ASMN1; SMN2 | |
| SCHEMBL26921107 | 0.80 | NPC1 (0.49) | PYCR1TSHRTAAR1HPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL5191489 | 0.80 | AOC3 (0.49) | PYCR1TSHRTAAR1HPGDLMNA | |
| SCHEMBL13322844 | 0.79 | AKR1B1 (0.48) | TSHRTAAR1HPGDCYP2D6RIPK1 | |
| SCHEMBL15224082 | 0.79 | ALDH1A1 (0.47) | TSHRLMNARIPK1KMT2ASMN1; SMN2 | |
| SCHEMBL13114704 | 0.79 | HSP90AA1 (0.52) | HPGDKMT2ASMN1; SMN2POLBMAPT | |
| SCHEMBL8195952 | 0.79 | RAB9A (0.42) | PYCR1TSHRTAAR1HPGDKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050043370-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2005-02-24 | — | — | US | disclosed |
| US-6803378-B2 | FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-12 | — | — | US | disclosed |
| US-20030181490-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2003-09-25 | — | — | US | disclosed |
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| US-20030027847-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-06 | — | — | US | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | 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 (3 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-20050043370-A1 | HIV integrase inhibitors | AKR1C3, CBR3, CBR1 | PYCR1 341/4885TSHR 2150/4885TAAR1 2056/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | PYCR1 344/4885TSHR 3659/4885TAAR1 2149/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | PYCR1 344/4885TSHR 3659/4885TAAR1 2149/4885 |
“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.